Tap 1

SACH DAO TAO DUQC ST DI HOC

Cht) Nen: PGS.TSKH. Le Thanh Phii6c

411
 BO Y Tg

HOA DA1 CUING VO Ca

TAP 1

CAU TAO CHAT VA NHIIET HONG HOA HOC

SACH DA0 TAO [MC ST DAI HOC

Ma s6: 0.20.X.05
Chu Wen: PGS.TSKH. LE THANH PHIIOC
(Tcli ban lein thi'i nheet có seta chita vet be sung)

TAN TAO UNIVERSITY LIBRARY

NHA XUAT BAN Y HOC

HA NOI — 2012 5-46
1-74Cle7f
A 2_ o
1 (3464
 CHI DA0 BIEN SOAN:

Vu Khoa hoc & Dao tao, BQ Y td

CHO BIEN:

PGS.TSKH. La Thanh Phiteic

NHONG NGUOI BIEN SOAN:

1. PGS.TSKH. Le Thanh Phu&

2. PGS.TS. Phan TOy
3. CN. Nguy6n Nhat Thi

THAM GIA TO CHUC BAN THAO:

1. ThS. Phi Van Tharn

2. TS. Nguy6n Manh Pha

© Ban quydn thuQc BQ Y td (Vu Khoa hoc va Dao tao)

2
 LIN G I dl T H I N

Thus hien met so di6u cua Luat Gido due, Be Giao duc & Dao tao va WO' Y
te' da ban hanh chuong trinh khung dao tao Ditoc si dai hoc. Bo Y to to chitc
bien soan tai lieu day — hoc cac men hoc chuyen men, cd ban chuyen nganh
theo chucing trinh tren nham titng buOc xay ding be tai lieu day — hoc chuan
ve chuyen mon de dam bao chat Wong dao tao nhan luc y t6.
Sach "Hod tai cu'dng — vo co' ditOc bien soan data vao clutOng trinh gido
due dai hoc cita trItang Dai hoc Duoc Ha N'ei tren cd chttong trinh khung da
ditoc phe duyet. Sach duoc bien soan theo pinking cham: kie'n thitc cd ban, he
thong; not dung chinh xac, khoa hoc, cap nhat cac tie'n be khoa hoc, ky thuat
hien dai va thiic tin Viet Nam.
Sach "Hod dai curing — vo co"' da dude Men soan bai cac nha giao giau
kinh nghiem va tam huye't dia be mon Hod dai cu'dng — vo cd, trUeng Dai hoc
Duoc Ha Nei. Sach "Hod dai cu'ang — vo co"' da. doge Hei d6ng chuyen mon cita
Bo Y te" tham dinh nam 2007. Be Y t6 ban hanh Cal lieu dat chuan chuyen men
nay de sit dung cho nganh trong giai doan hien nay. Trong qua trinh sit dung,
sach phai doge chinh 1ST, b'6' sung va cap nhat.
Be Y te' xin than thanh cam on PGS. TSKH. Le Thanh Philac, cac chuyen
gia cua tnthrig dai hoc Duoc Ha Nei da danh nhie'u tong site bien soan can
sach. Cam on PGS. Ngo Si 'long va GS. Dam Trung Bac, da dot phan Men de
cuo'n sach sOrn hoan thanh kip thai phut vu cho tong tac dap tao nhan lite y
VI lan dau xuat ban, chi mg toi mong nhan dudc y kie'n dong gop cita do'ng
nghiep, cac ban sinh vien va cac dec gia de lan xuat ban sau sach ditOc hoan
thien hon.

VU KHOA HOC VA DA° TAO

BOYTE.

3
 LC I Nol DAU

Hod dai cifdng va vo cd la mon hoc trong chuong trinh ciao tao Duoc si
dai hoc. Theo quy dinh cua chuong trinh khung, phan ly thuye't Hod dai cuong
va vo co dttoc giang day nam this nhat cho sinh vien Dude he chinh quy.
De dap Ting yeu eau chung ye nang cao chat Wong dao tao dai hoc va
phuong phap giang day tich cuc, chUng toi bien soan giao trinh Hoa dai dicing
- vo co theo hiidng tao dieu kien cho sinh vien to chi nhieu hcin trong hoc tap.
Theo do, nhfing_kien fir& khoa hod hoc duoc sap xep, trinh bay mot each
hop lY va he thong, vita co ban - hien dai, vita thiet thuc trong van dung, ke Ca
lien he yell kien thlic Sinh - Y - Duoc hoc.
Muc tieu cila mon hoc ma sinh vien can phai dat la:
1. Trinh bay va giai thich doge eau tao va tinti chat dia cac he vat chat
(nguyen tit, nguyen to, phan tii, phlic chat, vat the) nha nhcing kien thfic co
ban nhat ve Cci hoc Wong tit
2. Xac dinh va ly giai dtioc chi6u gidi han cua cac qua trinh hod
hoc nha van dung cac nguyen ly cua Nhiet dOng hoc.
3. Giai thich dtioc cd the va cac dieu kien phan ling dua tren nhfing dinh
luat cd ban clia hod hoc.
4. Chi ra dude each phan loai, giai thich dtiOc Ural chat, vai trO va dOc
tinh dia cac nguyen to va hop chat vo co, dac bi't la nhang chat dticic quan
tam trong Y - Duck.
Tai li4'u nay chia lam 2 tap:
- Tap 1 Om có 6 chuong, nham giup cho sinh vien thAic hien muc tieu 1 va
muc tieu 2.
- Tap 2 go'm có 5 chuong, nham giup cho sinh vien thuc hien muc tieu 3 va
muc tieu 4.
Cuo-i int3i quyen có kem theo cac phu luc de nguai doe tien tra Tau nhi6u
hang s6, dai Wong hoac khai niem thuOng dung trong lioa hoc, ke ca danh
phap chat vo cd theo Duoc dien Viet Nam.
Trong qua trinh ,bien soan, cac tac gia rat co gang. Du vay, nhigu
khie'm khuyet chat chap van con. Ch'ing toi rat mong nhan dude kien &mg
gbp va phe binh cac dOng nghiep, sinh vien va ban doc de lan xuat ban sau
tai lieu có chat Wong cao hon.
Ha Noi, Thang 10 nam 2012
Chet bien
PGS.TSKH. LE THANH PHU&

5
6
 MUC LVC

CHUONG 1. NHONG KHAI NIEM VA DINH LUAT CO BAN TRONG HOA HOC 11
PGS. TSKH. Le Thanh Phu'ac
1. D6i ttidng. Lddc sit hoa hoc 11
2. Khai niem cd ban ve dac tinh va phan loci cac chat 13
2.1. Tinh chgt cita vat chgt 13
2.2. Ba trang thai cita vat chgt 14
2.3. Nang Wong trong nghien citu vat chgt 15
2.4. Nguyen to, hop chgt va han hop. Tang quan ve nguyen tit 16
3. Cac dinh luat cd ban ciia hoa hoc. Thuygt nguyen tit dm Dalton 19
3.1. Dinh luat bao toan khai Wong cua Lavoisier va Ldmonoxov 19
3.2. Dinh luat thanh phan khong dai ciia Proust 20
3.3. Dinh luat qr le bQi cita John Dalton 21
3.4. Thuye't nguyen tit cita Dalton 22
3.5. Tranh luan v6 khai Wong nguyen tit.
Dinh luat Gay-Lussac va. Avogadro. 23
4. M'Ot s6 ddn vi cim he SI quan trong trong hoa hoc 25
5. S6 hieu nguyen tit, s6 kh6i, IKST hieu hoa hoc 29
6. piing vi va khgi lu'dng nguyen tit cua cac nguyen to 30
6.1. Dang vi 30
6.2. Khai Wong nguyen tit 31
6.3. Khai Wong nguyen tit clang vi va•khai Wong nguyen tit cita
nguyen to 31
7. Mol 32
8. Cac dinh luat vg trong thai IchilS7tiiiiing. The tich mol cua cac chat khi 36
9. thicing lu'dng 39
CHUONG 2. CAU TAO NGUYEN TO% He THONG TUAN HOAN
CAC NGUYEN TO HOA HOC 42
PGS. TSKH. Le Thanh Phu'dc, CN. Nguyjn Nheit Thi
1. Cu tao nguyen tit 42
1.1. Thanh phan chinh cit' a nguyen tit 42

7
 1.2. Mau nguyen tit trttoc cd hoc trong tii 43
1.3. Mau nguyen tit theo co hoc luting tit 51
2. He thong tuan hoan cac nguyen to hod hoc 90
2.1. Dinh lust tuan hoan va he thong tuan 'loan cac nguyen to hod hoc 90
2.2. MO't so tinh chSt tuan hodn cua cac nguyen to 100
CHUONG 3. LIEN KET HOA HOC VA CAU TAO PHAN TO' 109
PGS. TS. Phan Tu
1. Lien ket hod hoc khong dita tren cd hoc Itidng 109
1.1. Nhiing thuyet v6 lien ket hod hoc 109
1.2. MOt so tinh chSt cua phan tit 113
2. Lien kgt hod hoc theo co? ltidng t 118
2.1. PIntong phap cap electron h6a tri - phuong phap VB 119
2.2. Pintong phdp orbital phan tit - pinking phdp MO 142
2.3. Orbital phan tit dinh xit, phan dinh xtt va pinking phdp MO — Huckel 153

CHUONG 4. PHUC CHAT 159

PGS. TS. Phan Tu3;
1. Dinh nghia va cac thanh phAn cua phitc chk 159
2. Phan loai phitc chk 161
3. Dong phan cua phiic 162
4. Danh phap phitc chk 163
5. Su then ly va Wang se; khong b6'n cua phitc chk 164
6. Lien kgt hos hoc trong phitc chk 165
6.1. Thuyet lien ket hod tri (thuyet VB) 165
6.2. Thuyet tritOng tinh the 167
6.3. Thuyet MO va lien ket trong phitc chSt 175
CHUONG 5. CAU TAO VAT THE - PHAN cvc ION 180
PGS. TSKH. Le Thanh Phu'dc
1. Lien kgt giita cac phan tit 180
1.1. Lien ket Van der Waals 180
1.2. Lien ket hydro 185
2. Cac trang thai tap hdp chk 190
2.1. Trang thai khi 191
2.2. Trsng thdi long 192

8
 2.3. Chat ran 193
3. Phan cifc ion 207
3.1. Dai cuong 207
3.2. Anh twang cua phan cuc ion den tinh chat cac hop chat 209
CHLiCING 6. NHIET HONG HOA HOC 225
PGS. TSKH. Le Theinh Phu'dc
1.Nhiet hoa hoc 225
1.1. Nei nang 226
1.2. Enthalpy 231
1.3. Hieu iing nhiet cna cac qua trinh hod hoc 235
1.4. Si phu thuec cua hieu fing nhiet vao nhiet de. Dinh luat Kirchoff 239
1.5. Phuong phap xac Binh hieu iing nhiet cua phan Ting.
Dinh luat Hess 245
1.6. Sinh nhiet AH (f) 251
1.7. Nhiet chay AH (comb 253
1.8. Nhiet bie'n del trang thai 255
1.9. Nang luong lien ke't tong hoa tri 257
1.10. Nhiet hydrat hoa cUa ion 263
2. Van dung Nguyen IS7 II cua Nhiet dOng hoc de xet chie'u
hating va gi ii han cua cac qua trinh hofi hoc 264
2.1. Entropy (S) 265
2.2. Entropy, Nang Wong tai do Gibbs va C6ng 283
3. The hoa hocµ 295

PHI) LVC 299

PGS. TSKH. Le Themh Phu'dc (Phu luc 3, 4, 7)
CN. Nguyen Nheit Thi (Phu luc 1, 2, 5, 6)
Phu luc 1. Wit s6 thong tin v6 cac nguyen to hoa hoc 299
Phu luc 2. Ham Wong tuong dei cua cac nguyen t6 trong va qua dat 306
Phu luc 3. Cac gia tri AH °f , AG (f) , dia cac chat va ion 307
Phu luc 4. Danh phap chat vo co theo aloe din Viet Nam 317
Phu luc 5. He thong don vi queic t6 SI 325
Phu luc 6. Cac hang so- vat 1ST 329
Phu luc 7. Si khong chat than trong do Wang. Chu s6ce nghia trong
hoa hoc. Su chinh xac, do chinh xac va sai s6 330

9
10
 Chtictrig 1

NHIING KHAI NIEM

VA DINH LUAT CO BAN TRONG HOA HOC

MUC TIEU
1. Trinh bay dude not dung vet y nghia clict cac dinh 1u4t cd bcin ctat nen mOng
cho hoa hoc hien dai.
2. Phan tich du'qc chinh xac cac khai niem: nguyen nguyen t6, thing vi, pha n
mol, &icing lito'ng.

1. Do! TONG - LIfOC SU' HOA HOC

Hod hoc la khoa hoc nghien citu cau tao va tinh chat ciia vat chat, cac
qud trinh bien d6i ma cac chat phai trai qua clang vai nang Wong di kern
nhang qua trinh do.
Hod hoc c6 mat lich sii phong phu, nhieu mau sac. Nhiing net chinh vg
cac dot pha ban dau, ke ca nhang sai lam duoc gioi thieu dtioi day se cung cap
cho chting to cai nhin vg sti khai ngan ciia hod hoc hien dai va khoa hoc nay
da phat trien ra sao.
* Thai kY tign hoa hoc: go'm 3 thai ky ch6ng Fan nhau la gia kim thuat, y
hoc va cong nghe.
— Thai ky gia kim thuat:
Nhiing nghien citu huyen bi vg tii nhien cua nhcing ngtfai Hy Lap a Bac
Ai Cap the kY thli I sau COng nguyen ma mai sau nay van con not tieng vdi cal
ten gia kim thuat (alchemy). Nhiing nghien dm do loang r6ng tit Can Deng tai
chau Au, sau do con anh twang den suy nghi cua phucing Tay cho den tan the
V XVI. Y Wang cua nhiring nguai Hy Lap cho rang vat chat bi'en d6i mot each
tti nhien de tra nen hoan hao; c6 the tim each Eden cac chat it gia tri, vi du nhu
chi, thanh nhi-ing chat quY gia , vi du nhtf yang. Tit do, ho clang tin rang c6 the
dieu the dude thu6c truang sinh, by vong keo dal mai tu6i thanh xuan. Nhang
suy nghi khong c6 can cif tat nhien khong dtia den ket qua nao. Nhiing gi khoa
hoa hoc thila ke cua gia kim thuat chi la sti khuyen khich quan sat va thuc

11
nghiem, thay cho nhiing nha trigt hoc tilt& do nghien citu ttt nhien chi bang
con dila/1g duy 1Y.
- Thai kY y hoc:
Cdc nha gia kim thuat c6 anh hang 16n den y hoc o chau Au thai Trung
Co. Tit thekSTXIII ngttai ta- da. cluing cat re, cay co va cac thuc vat khdc de lam
ngudn thu6c. Paracelus (1493 - 1541) la met nha hod hoc tiCh cue va nha vat,lY
quan trong trong thai gian nay. Nhang tai lieu cila Ong lai hibu,
nhttng &tang flint ong tin rang co the con nguai la met he hod hoc ma sti can
bang cac chat trong no c6 the phuc 116i nho dieu tri bang y hoc. Nhitng hoc
tro cua Ong da che ra met s6 thu6c khodng chat cho cac hieu thu6c vao thekSr
XVII. Mac du met s6 trong cac thu6c nay khong c6 ich va met s6 c6 hai,
nhung sau do cac nha thUc hanh da dp dung cac thu6c khodng chat khdc va
da thanh cong. Tit do bat dau met moi quan he y hoc va hod hoc phat trien
manh me cho tdi ngay nay.
- Thai kY cong nghe:
Trong hang ngan nam, con ngu6i da phat trien nhieu ky xao cong nghe
de thttc hien nhitng bign d6i vat chat. Lam de g6m, thu6c nhuem va dac biet la
luyen kim (bat dau cach day khoang 7000 nam) da gop phan to lon vao sti hieu
biet cua chang to ve tinh chat cila vat chat. Trong thoi ky Trung Co va Phuc
Hung, ky nghe phdt trien hang thinh, c6 met s6 cong trinh nghien citu da ghi
lai ye luydn kim. Cdc tai lieu nay mo to each tinh che, dinh htong; each chic
bac va yang; cach sit dung can, 16 nung, not nau kim loci; cach che tao thug
tinh, de g6m, thu6c nhuem, thu6c Nhieu sang tao cua tho thu tong thai
kY nay van con lai den ngay nay. Met s6 tai lieu con cho thay da c6 quan
tam tim hieu tai sao met chat hien d6i va lam cach nao de tien doan st,t bien
d6i ciia vat chat.
Tuy nhien, trong thai kY nay c6 met 15r thuyet sai lam (dau an tit thai
alchemy), do la thuyet phlogiston. Mac du Eta da duoc sit dung tit till:3i tien
nhung khong c6 met giai thich nao hop lY ve nguyen nhan tai sao mot s6 chat
lai chay ma nhiing chat khdc thi khong, hoac dieu gi se xay ra khi met chat
chay. Thuyet phlogiston cho rang, cac chat chdy duoc la do chita phlogiston
(met chat nhe khong the phdt hien duoc) va phlogiston se giai phong ra khi
chat chdy. Chat a chdy chita nhieu phlogiston, chat chdy it hoac khong chdy
thi chita It hoac khong có phlogiston. Rei de giai thich nhiing mau thu'an NT&
thitc nghiem, thuyet nay con cho rang phlogiston c6 khol Wong am! Thuyet
phlogiston sai lam, nhung no da thong tri suy nghi vd stt chdy trong gan 100
nam. Cho den khi nha hod hoc tre nguoi Phdp Antoine Lavoisier (1743 - 1794)
chitng minh rang, ban chat cila su chdy la qud trinh ket hop dm cac chat voi
oxy, met thanh phan cua khOng khi. Thuyet cua Lavoisier ye stt chdy thanh
cong vi no giai thich duoc moi dieu quan sat met cach ra rang va vfing chat.
Quan trong la thuyet moi nay Oa tren nhang do Kiang dinh Wong chit khong
phai dila tren cac tinh chat kY la cila nhiing chat khong the phat hien &loc. Vi

12
htfdng tigp can nay la trung tam cua khoa hoc nen nhigu ngvai cho fang, khoa
hoc hod hoc da bat dau voi Lavoisier va Lomonoxov (Mikhain Vaxilevich
Lomanoxov, nha hod hoc ngtthi Nga, 1711 - 1765), vi hai Ong da dOc lap thigt
lap dvoc dinh lust bao toan khoi lvong (ma chUng ta se dg cap tOi d phhn sau).
* Tit Lavoisier va Lomanoxoy, có thg coi thai ky tin hod hoc da chim &it
va hoa hoc hikn dai bat dau voi hang boat cac dinh lust co ban dVoc phat minh:
dinh lust bao toan khoi Wong, dinh lust thanh phan khong d6i, dinh lust
doing Wong, dinh lust Avogadro, dinh lust tun hohn cac nguyen to cUa
Mendeleev, cac nguyen ly cua Nhigt dOng hoc. Nhang dinh lust nay lai dat
nen mong cho sit ra dai hoc thuygt vg nguyen tit, phan tit ma nhting nguai có
ding dau xay thing la cac nha hod hoc n6i tigng: Dalton, Gay Lussac, Robert
Boyle, Berzelius, Avogadro, Canizaro...
* Sang ddu the V XX, cac nha vat 1ST di tier' phong da kham pha ciu tao
ben trong nguyen tii, dva ra cac.mo hinh nguyen tii, va sau do da xay dung ca
mot 1ST thuygt hung manh dg con ngvai tign ding vao the gioi vi mo, do la Co
hoc hiOng tit. Co hoc Wong tit ra dai nha cong lao cU.a ca mot lop cac nha bac
hoc xuit sac: Max Planck, Niels Bohr, Werner Heisenberg, Erwin
Schrodinger, Louis de Broglie, Albert Einstein, Paul Dirac, Max Born, Enrico
Fermi, Wolfgang Pauli... Nha CO hoc Wong tit, ngay nay thong ta hieu bigt
sau sac va bign chiing 6 ca dinh tinh va dinh luting cac quy lust hoac vin de:
ddm may phai thay cho quy dao electron; trang thai cila electron trong nguyen
tii phai dvoc dac tiling bang 4 s6 luting quy lust vg sv tun hoan cac
nguyen t6; ban chit cac loai lien kgt hod hoc; ciu trot phan tit cUa chit song;
quang ph6; laser; vat l.S7 chit ran; din tra va sieu dan; vi mach din tit; ciu
tao hat nhan nguyen hikn Wong phan ra ph6ng xa; sit hinh thanh, ciu tao
va Wong tdc cua cac hat co ban.
2. KHAI NIEM CO BAN VE DAC TiNH VA PHAN LOAI CAC CHAT
Hod hoc gan lien voi mot &di tvong kh6ng to - do la toan b6 vat chit cUa
vu tru. De suy nghi dvoc minh bach, can bat dau v8i cac khai nikm va dinh
ngliia co ban, cho du có nhung dinh nghia da quen thuoc vdi mot so- nguai.
2.1. Tinh chgt cua vat chgt
Vat chit la chit ligu cua vu tru. Bat tit vat nao cling có the tich va khoi
lu'cing. Hai dai Wong nay &toe dinh nghia data tren cach do Wang chUng: thg
tich (V) là phan khong gian ma vat chigm giii, khoi Wong (m) la Wong vat chit
chita trong luck vat. Digu quan tam dac bit cua nha hod hoc la thanh phan
cila vat chit: loai nao va s6 Wong bao nhieu cac chit don gian da ciu tao nen
mot mhu vat.
Chung ta nghien dm vat chit bang cach quan sat cac tinh chat cila no.
M6'i chit, m6i vat có mot so tinh chat dac tru'ng khign cho no co mot dac ctiem
nhein clang duy nit& Co 2 loai tinh chit: tinh chit vat lST va tinh chit hod hoc,
dO la 2 loai bign doi có lien quan chat the ma vat chit phai trai qua.

13
 Tinh chat vat ly la nhang tinh chat ma *it chat thd hidn khi kh6ng co
Wong tac yell chat khac. VI du: mau sac, didm nong chay, didm soi, d6 dan
didn, tST trong. M6t bien cai vat ly xay ra khi mot chat thay doi trang thai hay
hinh dang nhung khong thay &Si thanh phan. VI du, khi nude da nong chay
thi c6 mot s6 tinh chat vat ly thay doi nhti d6 ding, tY' trong, tinh linh d6ng...
nhung no van la ntioc.
Tinh chdt hod hoc la nhilng tinh chat cUa mot chat the hidn khi hiring
tac voi chat khac, hoac khi tit bidn d6i thanh chat khac. Vi du, tinh de chay,
tinh bi an mon, kha nang phan itng voi acid. M6t Nen doi hod hoc, con goi la
phdn zing hod hoc, xay ra khi mot chat (hoac nhidu chat) chuyen thanh mot
chat (hoAc nhidu chat) khac c6 thanh phan va tinh chat khac voi chat ban dau.
Vi du, khi thing dien chay qua nueic gay ra mot phan itng hoa hoc, nitric bi
phan huY thanh 2 chat la khi hydro va khi oxy. Hai kill nay c6 tit-1h chat vat 1ST
va tinh chat hoa hoc khac nhau va khac voi nuoc ban dau.
MOt chdt du'o'c xac dinh b& . mot tap kip cdc tinh chat vat ly vet hod hoc
d4c tru'ng. Vi du, mot s6 U./1h chat cUa d6ng d Bang 1-1 cho thay: chat voi tap
hop cac tinh chat nhii vay chi c6 thd la d6ng.
Bang 1.1. M6t s6 tinh chat dec tru'ng cCia thing kim loai

Tinh chat vat ljr Tinh chat hoa hoc

Mau do n5u, anh kim. Chuygn dan thanh hop chat carbonat
mau xanh trong khong khi gm.
De dat mOng, keo dai.
Ph5n (trig voi acid HNO3, H2SO4.
Dan nhiet va dan dien tot.
Chuygn den thanh mau xanh dem
Khi nong ch5y có thg h6n hop veil kern trong nu'dc amoniac.
tao ra d6ng thau.

Kh6i lacing rieng = 8,95 g/cm3.

Digm nong ch5y = 1083°C.

Digm s6i = 2570°C.

2.2. Ba trang thai cua vat chgt

Vat chat ton tai d 3 clang, hay 3 trang thai vat 1S7: ran, long, khi. M76i
trang thai diioc xac dinh bai each vat chat lam day binh chiia. Chat ran c6
hinh clang co dinh, khong nhat thidt phai phu hop voi thanh binh. Liiu ST: chat
ran khong dinh nghia bdi d6 ran chAc hay d6 sat rat ran chat, chi ran
linh d6ng hon, con sap ong ran nhung mem deo. Chat 16ng plia hop voi hinh
Bang cUa binh chita bang the tich cUa no, vi vay chat lOng tao thanh mot be
mat. Chat khi clang phu hop voi binh Chita, nhung no lam day toan 136 the tich
cua binh, vi vay chat kill khong tao thanh be mat.

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 Nhidu chat c6 thJ ton tai ci ca 3 trang thai vat 1ST va c6 thd bidn d6i qua
cox trang thai tuST thuec nhiet de va ap suat moi tritang. Khi nhiet do tang,
nudc c/a nOng chay thanh nudc lOng va khi nitric soi thi tao thAnh nit& khi (hdi
nuoc). Qua trinh ngttoc lai xay ra khi ha nhiet do: hdi midc ngung to thAnh
nitric lOng va se &lig bang. Nhie'u chdt khdc cung bie'n d6i Wong tit: sat ran
nOng chay thanh sat lOng va d nhiet ctO soi bidn thAnh hdi sat. Lam lanh hdi
sat lai thu ditoc sat lOng roi den sat ran. Lvu ST la bien ctoi vat ly có the' chuye'n
dei hai chie'u theo nhi0 dO, nhu'ng bier' cal hod hoc thi khong. D6t 'long
thitang gay ra met bidn d6i ,hod hoc ma lam lanh khong thd ciao nguoc ditoc.
Chang han, ndu dot nong sat trong khong khi am tin, met phan iing hod hoc
xay ra, tao thanh mot chat mail nau, vun la. gi sat (sat oxyd). Qua trinh lam
lanh gi sat khong thd tao 14i sat ran ban dAu. CAn co met hoac met chu6i phan
ang khac mdi thus hien &toe qua trinh nay. Hoac taring -b.!, d nhiet de cao da
vdi (calci phan huST' thAnh voi (calci oxyd) va. khi carbonic; nhung
khong the tren voi voi khi carbonic de tao ra toan be da voi ban dau chi bang •
cach lam lanh him hop do.
2.3. Nang hiring trong nghien ciiu vat chgt
Moi bidn &I vat 1ST va hod hoc deu di kem sit bidn d6i nang Wong. Nang
lu'dng du'Oc dinh nghia la khd nang sinh tong, là thu'oc do mac d'O vdn d'Ong
cua vat chdt.
Nang Wong town phan dm met vat bang tang deng nang va thd nang cua
no. The nang là nang Wong có &toe do vi tri cua vet. D'Ong nang là nang Wong
c6 &toe do chuyen dcmg cua vat. Vdt d thd nang cao hdn là trang thai it on
dinh hdn, the nang thap hon là trang thai on dinh hdn. De khai niem gAn voi
hoa hoc, ta lay vi du 2 qua bong ditoc gan vdi nhau bai met 16 xo. Khi ta keo
qua bong 1/6 mot phia, nang Wong keo cua tay ta lam cang 16 xo, titc IA lam
tang thd nang cUa no. Luc nay 16 xo kem on dinh lion (do nang hiring cao hdn)
so vdi trang thai gian tit do. Neu ta tha tay ra, cac qua b6ng chuy6n crcing lai
gdn nhau, the nang da chuyen thanh &Ong nang. Ta cung c6 the lam tang thg
nang bang cdch nen 2 qua bong lai, tiic là ep 16 xo lai. Khi tha tay, 2 qua bong
se chuyen dting xa nhau ra, sii thay doi the nang lai chuyen thanh deng nang.
Di nhien khorig có cai 16 xo trong met chat nal) do, nhung met he hod hoc
cung airing tit nhu v437 v6 m'a't nang Wong. Khi that hien tach tidu phan tich
dien am ra kh6i ti6u phan tich dien diking (giong nhtt khi keo cang 16 xo) thi
the nang cua cac ti6u ,phan tang. Thd nang (Moe giai phong se chuyen thanh
deng nang khi cac tieu phan chuyen deng 1.4i gdn nhau. Khi hai tidu phan
cling dau dien tich bi day lai gar' nhau (giong nhtt khi nen 16 xo) thi thg nang
cung tang, va khi dJ chUng ditoc chuydn deng xa nhau ra thi thd /fang &toe
giai phong va chuydn,thanh deng nang. Hai tidu phan khac dau dien tich
gAn nhau, hoac hai tieu phan cling &Au dien tich d xa nhau la hic he cuc tidu
ve thd nang (trang thai nang Wong tha.p h6n) nen b6n hon.

15
 M6t s6 chat giau /tang lityng hod hoc hdn cac chat khdc là do vi tri Wang
doi va sit Wong tdc Oita cac tieu phan cita chting. Nhung chat nhti the dttOc sit
dung lam nhien lieu hay thitc an, chting chia nhieu the nang hdn cac chat
thai dtroc tao thanh. Khi et& chdy xang trong Ong co otO,, cdc chat co the nang
hod hoc cao hdn (xang va oxy khong khi) dttoc chuyen thanh cac chat c6
the nang hod hoc thgp hdn (khi thai, trong do co CO2 va H20). Stt khdc nhau
ve the nang nay (bang the nang &toe giai pilot-1g) chuyen thanh Ong 'tang lam
xe chay, lam nong khong khi xung quanh, lam den bat sang v.v... Clang Wong
41, sit khdc nhau ve the nang gifia thitc an va oxy khong khi chting ta tha vao
so voi cac chat thai bai tiet ra dttoc sit dung de co the van dOng, sinh trading,
gift gm, tut duy v.v...
Can nho la nang Wong luon duoc bao toan: no khong tit sinh ra hoac mat
di ma chi chuyen tit dang nay sang dang,khd.c. mot he kern ben chuydn thanh
h'ebJn hdn khi mot phdn thd nang chuyen thanh dOng ming, nang luting nay
de thu'c hien tong.
2.4. Nguyen to, help chgt ya. hen hcip. Tang quan ve nguyen tit
Vat chat co the phan chia rOng rai thanh 3 loai chat, trong do c6 2 loai:
nguyen to va hop chat dttoc xem la nhfing chat tinh khidt vi co thanh phan on
dinh, loai this ba goi la hen hop vi co thanh phan khong co dinh.
Nguyen to (element) la loai chat don gian nhat co ,cac tinh chat hod hoc
va. vat 1ST duy nhat. M6‘i nguyen to chi g6m mot loai nguyen tit, no khong
bi phd va thanh nhang chat don gian hdn bai cac phitong tien vat lST hay
hod hoc thong thttang. Al& nguyen to co mot ten va mot l(ST hieu rieng,
nhu carbon (C), oxy (0), d6ng (Cu) v.v... MOt mau carbon chi g6m cac
nguyen tit carbon, co cac tinh chat rieng ve mau sac, ty trong, tinh de
khac voi mot mau d6ng, bcii vi tinh chat cila cac nguyen tit carbon
khdc voi tinh chat caa cac nguyen tit d6ng. Do d6 mei nguyen t6 co tinh
duy nhgt.
Hau het cac nguyen to ton tai trong ttt nhien duoi dang tap hop lon cua
cac don nguyen tit (Hinh 1.1A), nhung cang co mot se nguyen to ton tai dttoi
dang phan tii: mei phan tit la mot c'g.0 true g6m hai hay nhieu nguyen tii lien
ket hod. hoc voi nhau tao thanh mot ddn vi dOc lap (chang han khi oxy, nitd
trong khong khi dttdi dang 2 nguyen tit; Hinh 1.1B). Nguai ta cling goi chat do
nhang nguyen tit ding loai eau tao nen la ddn chdt (thuc chat la nguyen to).
Hop chat (compound) la nhang chat duoc tao thanh bai hai hay nhieu
nguyen to ket hop veil nhau. Cdc nguyen to trong hop chat khong phai
ditoc trOn lan voi nhau, ma •la dttoc lien ket hod hoc voi nhau de tao
thanh mot hop chat moi (Hinh 1.1C). Amoniac, nttoc, carbon dioxyd la
nhang hop chat phO hien. MOt dac diem ro rang cila hop chat la cac
nguyen to co mat trong hop chat nhung ALA c6 dinh theo khOi Wong
(tST le khoi Wong co dinh). Co dttoc tY) le nay vi hop chat Om mot 67' le c6
dinh s6 nguyen tit cita cac nguyen to tao thanh no. Vi du, khOi. Wong cila
bat eft mau amoniac nao cang deu Om 14 phan khOi luong nito va 3
phan khOi Wong hydro. MOt nguyen tii nito co kit& tong gap 14 lAn khOi
Wong 1 nguyen tit hydro, vi vay 1 phan tit amoniac g6m 1 nguyen tii nitd
va 3 nguyen tii hydro.

16
 MOt dac diem rO rang nila cua hop chat la tinh chat cua no khac vdi tinh
chat cua cac nguyen to' thanh phdn. Vi du, kim loci natri mau trang bac, phan
ling manh liet vdi nude, va khi clor dOc, mau yang xanh c6 tinh chat rat khac
viii hop chat ma cluing tao thanh la tinh the mai an (natri clorid) mau trang,
vi man, khOng dOc.
Hop chat co the bi pha vd thanh cac nguyen to thanh phAn khi xay ra
nhfing bie'n doi hod hoc, chang han khi phan huSr muoi an (NaC1) bang dOng
dien se tao thanh natri kim loci va khi clor. Bang 1.2 cho thay sit khac nhau
v6 tinh chat giiia hop chat va cac nguyen to thanh phdn.
Bang 1.2. M0t so tinh chat cua natri, clor va natri clorid

Tinh chgt Natri + Clor —> Natri clorid

Digm nang chAy 97,8°C -101°C 801°C
Diem s6i 881,4°C -34°C 1413°C
Mau anh bac yang xanh khong mau (tr5ng)
Kh6i lu'ong rieng 0,97 g/cm3 0,0032 g/cm3 2,16 g/cm3
Vol nil& phAn Ung manh Het it hob tan hoa tan nhi6u

Hjn hop (mixture) la mot tap hop g6m hai hay nhieu nguyen to vaiho4c
hop chat ditoc trOn ldn vdi nhau \re mat vat 15r (Hinh 1.1D). Ngtioc vdi hop
chat, thanh plidn cua hOn hop c6 the thay doi rat rOng theo phdri khoi
luong. VI hO'n hOp la su trOn lan vat 1Sr cac chat, chic khong phai bang cac
lien ke't hod hoc, nen hon hop van mang cac tinh chat ciia cac thanh phdn
ciia no. Nhu nu6c muoi chang han, khong matt nhil ntidc va c6 vi man
nhu muoi. Kha.c vdi hop ch't, hon hop c6 the bi chia tach thanh co.c.
thanh phan dm. no nha nhiing bie'n doi) vat 15r, chit khong can nha den
bie'n doi hod hoc. VI du, nit& muoi c6 the tach ra cac thanh plidn nha qua
trinh bay hdi milk, de lai muol natri ran ke't tinh.

•
■/
0
•

A B C D
Cac nguyen Cac phan tit Cac phan tCr H6n hop cua
cua mot nguyen to cua mot nguyen to cua mot hop chat hai nguyen to
va mot hop chat
Hinh 1.1. Cac nguyen to, hop chat va h6n hop theo cap d6 nguyen to
A. M6t nguyen to gom cac nguyen tit gi6ng nhau, nhu'ng chi c6 mot s6 nguyen
to ton tai du'di dang nhCing nguyen tit rieng biet.
B. M6t s6 nguyen to khac ton tai 6 dang cac phan tit.
C. M6t phan cua mot hop chat bao g6m mot s6 nhat dinh cac nguyen tit
cua hai hay nhieu nguyen to.
D. M6t h6n hop chira nhang thanh ph5n rieng biet cua hai hay nhieu nguyen
to va/hoac cac hop chat du'oc trOn an mot each vat ly veil nhau.

TAN TAO UNIVERSITY LIBRARY 17

 Hinh 1.2 la tong quan ye each phan loai vat chat theo quan diem hod
hoc. Nhiing clang ddc biet khac cila vat chat hodc nhfiing trang thai trung gian
cua cac chat chua de cap 6 day.
- Cac phudng phap vat IY tach 1.1"6n hop thanh cac nguyen to'va cac hop chat.
- Phan tang hod hoc bie'n de;i cac nguyen to thanh cac hop chat, va ngudc
lai; hoac cac hdp chat thanh nhiing hdp chat khdc.
VAT CHAT
CO khoi lacing va th6 tich
T6n tai o 3 trang thai: ran, lOng, khi
HON HOP
- Hai hoac nhi6u nguyen to hoac hop chat theo tj, le
kh6ng co dinh A thanh phan
- Cac thanh ph5n van giit tinh chat hang cila chi:mg
H6n hop kh6ng &ng nhit Hon hop d6ng nhit (dung dich)
- Nhan ra du'oc cac thanh phan - Kh6ng nhan ra cac thanh phan
- Cac phan cUa he la khac nhau - Cac phan cita he giong nhau

CAC PHUONG PHAP

TACH VAT Li'
Loc
Chigt
Ly tam
Cat
Kat tinhtthang hoa
Sac ky...

CAC CHAT TINH KHIET

Thanh phan xac dinh va dang nhat
Cac nguyen to Hop chit
- G6m mot loai nguyen tit - Hai hoac nhi6u nguyen to lien kat
- Chia thanh: kim loai, phi theo ph5n kh6i lacing xac dinh
kim, a kim - Tinh chit khac voi tinh chat cUa
- Dang don gian nhat cUa vat chat cac nguyen to thanh ph5n
con gist du'oc cac d5c tinh rieng - Kh6i lacing phan tit bang tong kh6i
- Kh6i lacing nguyen to la s6 trung lacing cac nguyen tit
binh cita cac kh6i lacing d6ng
vi ph6 bian
CAC PHAN ONG
HOA HQC

Cac nguyen til Cac hop chit ion

- Proton (p') va notron (n°) tao
thanh hat nhan dien tich
during va qt.,* dinh kh6i
luting nguyen tit (rat nhO)
- SO = so hiau nguyen tit (Z)
- Cac electron chiam th6 tich
quanh hat nhan. SO p' = so
- Tinh the' g6m cac ion Wong
va ion am
- Cac ion hinh thanh doe chuyan
tit kim loai sang phi kim
Cac hdp chit c6ng hoa tri
- ThuOng gOm cac phan tit
rieng biat
- Cac nguyen tis(thuting la phi
kim) lien kat yeti nhau be i cap
electron hoa bl clOng chung

Hinh 1.2. Ph5n loci vat chat theo hoe hoc

18
3. CAC DINH LUAs..T CO BAN CUA HOA HOC - THUYET NGUYEN It
CUA DALTON
Cdc dinh luat cd ban slat nen m6ng cho hoc thuyet nguyen tit - phan tit
hien dai ma Dalton (John Dalton, nha hod hoc va vat 1ST ngtfai Anh, 1766 -
1844) la ngttai dau tien de xuat. Nha cdc dinh luat cd ban va hoc thuyet
nguyen tit - phan tit eh-Ling ta mai c6 nhcing cd sa de tinh town dinh Wong
trong khoa hod. hoc.
3.1. Dinh 1u4t bao toan khol 'tic/11g caa Lavoisier va Ldmanoxov
Khoi lu'o'ng tong tong dta ccic chdt khOng cat trong mot phcin zing hod
hoc. S6 Wong cdc chat va tinh chat cilia chUng c6 the thay doi, nhung khei
Wong cua cdc chat thi gilt nguyen khong dol tritac va sau phan itng. Ngay
ca nhang hien d6i sinh hoc phlic tap trong co the c6 lien quan den nhieu
phan itng thi khol Wong van cluoc bao than:
180g glucose + 192g khi oxy -> 264g carbon dioxyd + 108g nitac
(372g nguyen lieu truac phan itng --> 372g chat sau hien del)
Nam 1905, A. Einstein (Nha vat 157 Dlic, 1879 - 1955) dita ra he thfic v6
mei quan he glib. kh6i Wong (m) cua vat va nang Wong (E) cua no:
E = mc2 (1-1)
day: c la t6c de dnh sang trong than khong bang 2,997925.108 m/s (gan
bang 300.000 km/s).
Nhu vay, dinh luat bao toan kh6i Wong chi hohn toan dung cho phan ang
khong thu hoac phat ra nang Wong. Trong truang hop nglicic lai, kh6i luting
cac chat c6 the tang (khi hap thu Wong nhiet Q) hoac giam (khi toa ra Wong
nhiet Q) Wong fing vai hien thien khol Wong (Am):
Q (=AE) (1-2)
Am =
C2

Tuy nhien, vi c2 la rat kin, Nen d6i khel luting caa chat theo nang hiOng
trong cdc phan Ung hod hoc la rat nha, nen that to khoi lu'o'ng van du'vc bdo town.
[Ngttoi ta tinh rang, khi 100g carbon chdy rvai oxy, chi c6 0,000000036g
(= 3,6.10-8g) khel luting chat hien thanh nang Wong - sti thay d6i khel Wong
nay la ye cling nha ma nhang cal can hien dai nhat hien nay cling khong the
phdt hien duoc. Tuy nhien, nang Wong bien clei trong cdc phan ling hat nhan
nguyen tit la di]. lan de khol Wong Wen del c6 the do duoc].
- Nha dinh luat bao toan kh6i Wong ma chung ta c6 the can bang cdc
phuong trinh hod hoc vb. tinh &toe kh6i. Wong cua cdc chat tham gia
phan ling va cdc chat san phdm theo tttdng quan tY' le thuan khi dila vao
phuong trinh phan fing da can bang.

19
3.2. Dinh luat thanh phAn khOng d6i cUa Proust (Nha hod hoc ngitai
Phap, 1754 - 1826)
- Mot hop chat nhat dinh du thick didu chg bang each nao thi van bao g6m
ding mot loai cac nguyen to va ding tS7' s6 khoi Wong cua cac nguyen to
trong hop chat.
Cac kgt qua sau day thu dttoc ve thanh phdn khoi Wong cita cac nguyen
to trong 20,0 g calci carbonat:
Phan tich theo So phdn khgi Wong Phdm tram
khoi ltiong khoi Wong
8,0g calci 0,40 calci 40%
2,4g carbon 0,12 carbon 12%
9,6g oxy 0,48 oxy 48%
20,0g 1,00 phAn khoi 100% kligi Wong
Wong
Dinh luat thanh phdri khong dgi cho ta bigt rang, calci carbonat tinh
khigt thu dttoc tit da hoa ctidng ct mot ngon nUi, tit san ho ngdm &ad bidn,
hoac tit bat kS7 mot ngu6n nao khac, thi van tim thay ding cac loai nguyen to
tao thanh (calci, carbon, oxy) va ciing ix* s6 plign tram nhti da cho bigt
bang tren.
- Nhtt vay, nh6 dinh luat thanh phan khong dgi ma m6i hop chat xac dinh
&toe bidu thi bang mot tong thiic hod hoc nh'at dinh.
Co thd suy ra khoi Wong nguyen to tit tS7 1e khoi lticsng ciia no trong hop chat:
S6 phgn kh6i Ittong nguyen to
Kh6i prong nguyen to = KhCii lacing hop chgt x
1 phan khoi Wong hop chgt
Chung ta c6 thd bidu dign phdn khoi ltiong theo bat kS7 don vi do khoi
Wong nao ngu tien dung cho tinh toan.
- Cling can chu Sr la thanh phdri khong dgi chi hoan toan diing cho nhfing
hop chat c6 khoi ltiong phan tit nhO 6 trang thai khi va 16ng. voi chat
ran hoac polymer, do nhling khuygt tat trong mang tinh the hoac trong
chai dai phan tit, thanh phdn cila hop chat thttang khong ling dung v6i
mot ding thiic hod hoc xdc dinh. Vi du, tY' oxy/titan trong titan oxyd
digit chg bang cac phyong phdp khdc nhau dao dOng tit 0,58 dgn 1,33;
ding thiic cila sat sulfid c6 thd vigt Fei,S voi x dao dOng tit 0 dgn 0,005;
phan tit glycogen trong cac to bao gan va co c6 thd go'm 1000 dgn 500000
don vi glucose; v.v...

20
3.3. Dinh 1u4t tS7 le boi et:1m John Dalton (Nha hoa hoc Anh, 1766-1844)
- Neu hai nguyen to A va B ket hop vdi nhau tao thanh met s6 hop chat
boa hoc thi cac kh6i Wong khac nhau cua B ket hop voi met khoi Wong co
dinh cUa A co the bieu thi dudi dang tY' le cifa cac s6 nguyen nhO.
VI du, xet 2 hop chat duoc tao thanh tit 2 nguyen to carbon va oxy, va goi
IA carbon oxyd I va carbon oxyd II. as cling nhiet de va ap suat, khoi
1-uong rieng cila I la 1,25 g/1; dia. II là 1,98 g/l. Ngoai ra I la chat dee va
de chay; II khong dec va khong chay. Vi day là cac hop chat khac nhau
nen thanh phdri kh6i Wong cUa chung ding khac nhau. Ke't qua phan
tich cho thay:
Carbon oxyd I: 57,1 % kh6i Wong oxy va. 42,9 % khoi Wong carbon.
Carbon oxyd II: 72,7 % khoi Wong oxy va 27,3 % khoi Wong carbon.
De hieu ro hien Wong tS7 le bOi s6, ta dung % kh6i Wong cifa carbon va
oxy trong moi hop chat de tinh ra khoi. Wong cifa cac nguyen to nay trong met
khoi Wong da biet, chang han 100g cila hop chat. Sau do la chia khoi Wong
oxy cho khoi Wong carbon trong moi hop chat de xac dinh kh6i Wong oxy ket
hop \Ted 1 khoi Wong xac dinh cila carbon:
Carbon oxyd I Carbon oxvd II
g oxy/100g hop chat: 57,1 72,7
g carbon/100g hop chat: 42,9 27,3
57, 1 72,7
g oxy/g carbon: = 1,33 2,66
42,9 27,3
Chia tY le s6 g oxy/g carbon trong hop chat II cho hop chat I, ta thu difoc:
2,66g oxy/g carbon trong hop cli6t II = 2
1,33g oxy/g carbon trong hop chSt I 1
Dinh luSt tY le bei cho chUng ta bie't rang, trong hai hOp chat duoc tao
nen tit ding cac nguyen to, thi so phSn khoi Wong cila met nguyen to so voi
met phan khoi Wong cua nguyen to kia phai thay d6i theo nhUng so gia là
nhilng so nguyen, cliff khong phai thay d6i met cash lien tuc, ngliia là chat II
chila kh6i Wong oxy gap 2 lAn a chat I, cliff khong phai là 1,5 hay 1,7 Fan, hay
bat cif met gia tri trung gian nao khac.
Neu hai nguyen to tao thanh nhieu hdn hai hop chat, quy lust van dung
nhtf vay. VI du, 7 g nits (met khoi Wong co dinh) se ket hop voi nhiTng khoi
Wong khac nhau cua oxy de tao thanh 5 oxyd nhtf the hien duoi day:
N20 NO N203 NO2 N205
g oxy:4g 8g 12g 16g 20g
Ts, le nhang s6 nguyen don gian se là:
4 : 8 : 12 : 16 : 20 = 1 : 2 : 3 : 4 : 5

21
3.4. Thuygt nguyen tit cUa Dalton
Cdc dinh ludt vg khal ltiOng gitip cdc nha hod hoc ttt duy ve mot mau
nguyen tit - bai vi vat chgt ton tai dtioi clang nhung thin vi khong the phd va
dttoc, mai don vi c6 mat khaa Wong dac triing. John Dalton la ngtiai tao ra cu
clot phd khi Ong trinh bay thuyet nguyen di v8 vat chgt narn 1808.
Dalton dtta. ra 1ST thuy& cim minh trong mat chai nhiing die'u dtioc mac
nhi8n thita nhan. Nhang dieu do chioc trinh bay 14i dltaii day theo cdc thuat
ngfi khoa hoc hien d4i va sap xe-p lai de tien cho viec thao Juan. Nhung not
dung trong ngoac chi ra sit khac nhau chi yeu giiia nhang dieu mac nhien
thita nhan cila Dalton va nhang hien biet cua cluing ta ngay nay.
1. Vat chdt gom cdc nguyen tit la nhang tieu phan rat nha be khOng the
chia cat cilia mat nguyen to. Nguyen tit khong the tao ra hay phd huy (ngay
nay cluing ta biet rang nguyen tit khong the chia nha nhiing dttoc cdu tao tit
nhang phan tit nha hdn goi la cdc hat dual nguyen tit).
2. Nguyen di ciia mat nguyen to khong the chuyen thanh nguyen tit cim
nguyen to khdc. Trong phan -tang hod hoc, cdc chgt ban ddu tdch ra thanh
nhung nguyen tit, sau do lai tai ket hop de tao thanh nhang chdt khac (ngay
nay cluing ta biet rang trong phan ling hat nhan, nguyen tit cila mat s6
nguyen to cb the chuyen thanh nguyen tit cila nguyen to khdc, nhting di8u nay
khong xay ra trong phan itng hod hoc).
3. Nguyen di cila ding mat nguyen to thi Wang tti nhau v6 khol Wong va
tinh chgt, nhitng khdc vdi nguyen tit cila bgt kSTnguyen to nao khdc (ngay nay
cluing ta biet rang cdc nguyen tit cila mat nguyen to c6 the khdc nhau ve khoa
Wong - cdc d8ng vi, nhttng nhin chung sit khdc nhau nay là nh6).
4. Hop chdt dttoc tao thanh tit star ket hop hod hoc cdc nguyen tit cua cdc
nguyen to khdc nhau vdi 0 le nhdt dinh (ngay nay chung ta biet rang c6 mat
s6 hop chdt c6 sti khdc nhau nha v6 tS71"e' cac nguyen tit cua chung, nhting ctigu
mac nhien thita nhan nay ve' co ban van khong thay d6i).
Theo nhung mac nhien neu tren, Dalton da giai thich cdc dinh luat ve
khaa Wong:
- Sit bao than khea Wong. Nguyen di khong the thioc tao ra hoac phd huST'
(mac nhien 1) hay chuyen thanh loaf nguyen tit khdc (mac nhien 2). VI
mai lo4i nguyen tit c6 mat khoa Wong xdc dinh (mac nhi8n 3), nen trong
mat phan ling hod hoc ma CI do cdc nguyen tit dttoc sap x6p lai thi khong
the gay ra sut bie'n d6i v8 khol Wong.
- Thanh phan khong del Hop chgt la sl.t ket hop cdc nguyen tit theo mat 0
le nhgt dinh (mac nhien 4), m8i nguyen tit 141 cal khea Wong xac dinh
(mac nhien 3). Vi va'y m8i nguyen to trong hop chdt luan chie-m pladn co
dinh so vol. klai Wong than the.

22
 — Ty le bei. Cac nguyen tit cila met nguyen to có ding khoi Wong (m'a'c
nhien 3) va khong the chia eat ctuoe (mac nhien 1). Do s6 nguyen tit B
khde nhau có the k6t hop vdi mr3i nguyen tit A trong hai hop chit nen t7'.
le kh6i. Wong cua nguyen to B k6t hop vdi met khoi Wong xac dinh cita
nguyen t6A la met so nguyen nh'6.

3.5. Tranh lulan v6 khoi kiting nguyen tit Dinh lua't Gay-Lussac va Avogadro
Sau khi thuy6t nguyen tit ra doi, nhi6u nha nghien citu da c6 gang xac
Binh khoi luong nguyen tit cac nguyen to tit tST le khoi Wong cua nguyen
to trong hop chit. Vi mei nguyen tit qua nhii be nen ta chi có the xac dinh
khoi Wong nguyen tit eila met nguyen to trong hop chit so vdi khoi Wong
nhang nguyen to khac. De lam co sd cho nhfing kh6i Wong nguyen tit
ttfcing d6i nay, Dalton da an dinh khoi Wong nguyen tit la 1 doi vdi hydro,
met chit da bi6t ctitoe ro rang. Trude do Lavoisier da chi ra rang nude
Om 8g oxy vdi lg hydro, vi vay Dalton mac dinh khoi Wong nguyen tit
Wong doi eita oxy la 8. Tuy nhien, kh6i Wong d6i nay chi dung n6u
s6 nguyen tit oxy (trong 8g oxy) bang so nguyen tit hydro (trong lg
hydro), theo do met phan tit nude chi Om 1 nguyen tit oxy k6t hop vdi 1
nguyen tit hydro (KST hieu HO).
Clang vao thai gian nay, nha hod hoc ngitC:ii Phap Gay-Lussac (1778 -
1850) ti'6n hanh met boat cac thi nghi'em nghien cull v6 tS'r le nguyen tit
dm nude. Thay bang viec do kh6i Wong thi 'Ong lai do cac the tich klii
hydro k6t hop vdi khi oxy de tao thanh hdi nude. Gay-Lussac thiy rang
trong ding di'eu kien nhiet do va ap suit thi di 2 lit khi hydro k6t hOp
vita du vdi 1 lit khi oxy de tao thanh 2 lit hdi nude. CUng vdi k6t qua thi
nghiem d nhie'u chit khi khac nua da cho phep Gay-Lussac phat bieu
dinh luCit 0 le the' tich:
Ccic the' tich cUa cac chat khi tham gia phcin a'ng ty le vdi nhau vet ty le
vdi the' tich cua cac sin phdm khi tao themh theo nhring so nguyen nhO.
K6t hop gia thi6t ciia Dalton v6 thanh phdn cua phan tit nude va dinh
luat 6T' le the tich cila Gay-Lussac, ta có cac k6t qua mong doi va k6t qua
thue t6 nhit sau:
N6u nude la HO: 1 lit khi hydro + 1 lit khi oxy --> 1 lit hdi nitric
N6u nitric la H2 O: 2 lit khi hydro + 1 lit khi oxy --> 1 lit hdi nitric
Thuc t6 la: 2 lit khi hydro + 1 lit khi oxy 2 lit hdi nitric
Khi do, hdu beet cac nha nghien citu cho rang tit ca cac nguyen to, bao gom
ca hydro va oxy clang khi, de'u ton tai tu nhien ditoi dang cac nguyen tit rieng
biet. VI \Tay, k6t qua qUan sat cluoc dm Gay-Lussac to ra khong coy nghia, bai vi
nhu the thi moi nguyen tit oxy da chia doi de tao thanh 2 phan tit nUdc. Chinh
Dalton da rat phan d6i cac k6t qua va ky thuat do eila Gay-LussaC.

23
 — Nam 1811, nha vat lY ngtiai )7 la Avogadro (1776 - 1856) da giai thich
dtioc cac tY' 10 don gian giffa cac th0' tich cUa chat khi quan sat thay trong
cac phan ling hod hoc, sau khi 'Ong thie-t ldp duoc dinh ludt - Dinh lutit
Avogadro:
Ccic the tich bing nhau ceza cac chat khi bat k3' le& a cling nhi0 cho va ap
sudt cteu cha'a cling mot so- phan tet.
Nhu vdy, moi tiL phan khi hydro va khi oxy thuc chgt la mot phan tit
g6m 2 nguyen tit. Nhiing phan tit nay, chii khOng phai là nhiing nguyen tit, bi
chia ra tang phdn va nhung nguyen tit rieng re sau do mdi tai ke-t hop d0) tao
thanh phan tit hoi /tide. VI \Tay, 2 lit khi hydro chfia so tieu phan khi gdp 2 ldn
1 lit khi oxy va ding s6 tie'u phan nhu trong 2 lit hdi rnfoc. Hinh 1.3 minh hoa
each giai thich nhfing ldt qua cUa Gay-Lussac theo dinh ludt Avogadro (1.3A
cho tao thanh hdi nu& va 1.3B cho tao thanh amoniac).
•
cb • •
8 •
•
1 lit khi hydro 1 lit hoi nu&

1 lit khi oxy

1 lit kill hydro 1 lit hoi nuOc

Hinh 1.3A. Cac the tich kgt hop coa hydro va oxy de tao thanh hal nu'dc

8 8 +
CO
3 phan tit hydro 1 phan tic nito 2 phan tic amoniac
(3 thd tich) (1 thd tich) (2 thd tich)

Hinh 1.3B. Cac the tich kgt hop cila hydro va nit° de tao thanh khi amoniac

Wac du each giai thich dia. Avogadro la dung, nhung thai do chtta de
duoc chap nhdn, bai vi 6ng da dung nhiing thudt ngit kho hiL va phep tinh
town phitc tap. Khoang 50 nam sau do ST Wang cila Avogadro mdi dtioc thiia
nhdn va dan den vi0c xdc dinh khoi Wong Wong d6i thing dan cua oxy la 16. VI
tST 10 khoi Wong cUa nude la 8g oxy vOi. 1g hydro, vdy tsr 10 cUa cac the tich ke-t
hop coy nghia la 1 nguyen tit oxy n4ng gap 16 ldn so vdi nguyen tit hydro:

24
 1 oxy (16) 16 8 ,
(Ty le the' tich) — = — (ty le kh6i Wong)
2 hydro (1 cho moi nguye n di) 2 1 •
Thuyet nguyen tit cila Dalton da giai thich kho'i Wong cua cac nguyen to,
cac phan ling theo nguyen tit, thtic day yiec xac dinh khoi Wong cua cac
nguyen tit va cac tong Ur& boa hoc (nhu NH3 cho amoniac, H2O cho
rutoc...) do do cta co anh hitting sau sac den sti Oat trign cua hoa hoc. Tuy
nhien, mo hinh nguyen tit Dalton sdm to ra có nhieu han che. NO khong
giai thich duoc tai sao cac nguyen to lai ket hop vdi nhau theo nhang tY'
le s6 nguyen tit nhat dinh. Chang han cloi vdi phan tit intoc, tai sao lai la
2 chit khong phai la 3 nguyen tit hydro ket hop vdi 1 nguyen tit oxy. Cling
nhu vay, cai nhin trOn tria nhtt hon bi cling nhac ve nguyen tit da khong
giai thich dttoc hien Wong cac tieu phan -Lich dien trong cac thi nghiem
sau dO. Can co met mo hinh nguyen tit phlic tap hon de giai thich so lien
ket gifia cac nguyen tit, sit hinh thanh cac ion... Nhitng do la si nghiep
ciia the he cac nha khoa hoc tiep theo d nhang nam cu6i the k 'Y XIX dau
the k 'Y XX (xem chuong 2: cau tao nguyen tit ya dinh lust tun hoan cac
nguyen to). Hinh 1.4 (6 muc 1.5) la khac hoa dai cucing ve cgu tao nguyen
tit hien dai.

4. MOT SO DON VI CUA HE SI QUAN TRONG TRONG HOA HOC

Titnam 1960, he don vi qu6c t6 SI (chit vie't tat bat ngu6n tit tie-ng Phap:
Systeme International d'Unites) duoc cac nha khoa hoc toan cdu thong
nhat sit dung.
He SI data tren 7 don vi do luting cd ban, nitii don vi xac dinh mot s6 do
chuan cua met dai Wong vat IY (Bang 1.3).
Bang 1.3. Cac don vi co ban coa he SI

Dai lurIng vat 19 Ten don vi Vigt tit don vi

Knell lacing Kilogam kg

DO dai Met m

Thai gian Giay s

Nhiat di) Kelvin K

Wong chat Mole mol

Cooing di) (Jong din Ampe A

Cu'ong do sang Candela Cd

Cac don vi khac goi la don vi &an xugt do sit ket hop cUa 7 don vi co ban
neu tren.
Vdi cac dai Wong nhO hdn hoac lon bon so vdi don vi co ban, ngudi to sit dung
cac tigp dau ngit thap phan hay he thong 147 hieu theo ham so- mu (Bang 1.4).

25
 Bang 1.4. Cac flap Tau ngif thap phan caa he SI

Tie-p Ky hieu Y nghia S6 luji

dgu tigp dgu Bang s6 Bang chCt theta

tera T 1.000.000.000.000 nghin ti 1012

giga G 1.000.000.000 ti 109
mega M 1.000.000 triau 106
kilo k 1000 nghin 103
hecto h 100 tram 102
deka da 10 mutii 101
- - 1 mot (don vi) 10°
deci d 0,1 phan mu'Oi 10-1
centi c 0,01 phan tram 10-2
milli m 0,001 phan nghin 10-3
micro i-t 0,000001 phan triau 10-6
nano n 0,000000001 phan ti 10-9
pico p 0,000000000001 phan nghin ti 1012
femto f 0,000000000000001 phan triau ti 10-15

(Nhieng ti'dp dliu in cki m thu'iing du'o'c dung trong hoci hoc)
Met s6 ctdn vi SI quan trong trong hod hoc
— Chi& dui: don vi co ban la met (m). Trong eau tao nguyen tie, phan tit
thUang clang cdc ctdn vi nho hon nhieu, vi du: micromet (1 1..M1 = 10-6 m),
nanomet (1 nm = 10-9 m).
The' tich: bat kST mar u vat chat nao cung có the la phdri khong gian
ma no chiem ch6. Don vi co ban la met khol (m3). Trong hod hoc, don vi
quan trong nhat cua the tich la. lit (L) Ira mililit (mL):
1 L = 1 dm3 10-3 m3
1 mL = 1 cm3 = 10-3 dm3 = 10-3 L = 10-6 m3
Khoi lu'o'ng: la s6 luong vat chat trong met vat. Ddn vi cc; ban là kilogam
(kg) - don vi co ban duy nhat có met tie-p d'au nga (kilo). Thuat ngil kh6i
Wong va trong litong có nghia phan biet. Vi s6 luting vat chat cila met vat
khong thay d6i nen khoi lacing là hang so. Trong Wong cila met vat phu
thuec vao kh6i luting ciia no va luc but cila truong hap &an tdc dung len
no. Do truing hap clan thay d6i theo de cao so vdi be mat trdi dat nen
trong luong cila met vat cung thay doi theo do cao (vi du, met vat nhe
lion met chUt cJ tren dinh nue cao so vdi tren mat bien; hoac na,ng hdn met
chUt khi &at vat d bac clic hay nam cuc so vdi vat. ay dat d xich dao xa

26
 tam trai dat hon). Tuy nhien, kh6i Wong duoc xac dinh bang can nen se
khong phu thuQc vao truang hap dean, vi cai can dtioc thiet ke de do kh6i
ltiong chit khong phai do trong Wong. Cai can tii Ong so sanh khol. Wong
chua biet ciia vat vdi nhung khol Wong da duoc thiet ke ben trong can,
nen trUang hap Can tai cho do tac dong len cluing thong duong nhau.
Can phan tich dien xac dinh kh6i Wong bang cach tao ra mot dien tru6ng
thong lai tnthng hap dan tai ch'6. DQ ldn cila dong dien can thiet se dila
dia can ve vi tri 0 r'6i mdi do kh6i luong cila vat.
Nhiet ctO: la s6 do mile dQ nong hay lanh cua mot chat nay so vdi chat
khac. Don vi co ban la dQ kelvin (K). He tranh nham vdi cac hang s6 can
bang K nguai ta ciing viet tat la °K. LAW Y thing nham ve nghia cua hai
thuat ngii nhiet (Q) va nhiet do (T). Nhiet la nang Wong truygn gitia cac
vat c6 nhiet dQ khac nhau. Nhiet gan lien vdi huong truye'n: nhiet truy6n
tit vat c6 nhiet do cao sang vat c6 nhiet dQ thap hon cho den khi nhiet dQ
ciia cluing bang nhau (cuc da trong tay ta, cai "lanh" &fang nhtt truye'n
sang ban tay, thuc ra la nhiet tht tay ta truye'n sang cue da.). Nhiet c6
U./1h bao quat (nhu the tich chang han), nhung nhiet dQ c6 tinh tap trung
(nhu ty trong chang han): mot thang nude soi cluia nhieu nhiet (nang
Wong) hon mot c6c nude soi, nhung nhiet dQ ciia cluing bang nhau. Cac
thiet bi thong thithng trong phong thi nghiem de do nhiet de) la nhiet
no chlia mot chat dich c6 kha nang and Ong khi duoc gia nhiet. Khi bau
nhiet ke duoc nhung chim trong mQt - chat nong hon no thi nhiet se
truy6n of chat nay qua thug tinh vao chat dich, lam no gian va clang
len trong 6ng nhiet ke. Neu chat duoc do lanh hon nhiet ke, nhiet se bi
keo ra kh6i chat dich lam cho no co lai trong 6ng nhiet
Co 3 thang nhiet dQ hay gap: Celsius goi la dQ bath phan (°C); Kelvin (K)
va. Fahrenheit (°F). Don vi co ban cila he SI la. thang Kelvin (cho Y rang, theo
quy u6c qu6c to thi Kelvin khong c6 ky hi'eu do (°)). Thang Kelvin goi la thang
tuyet d6i duoc ua chuQng hon trong cac tinh toan khoa hoc, mac du chang
Celsius cang hay &toe dung; thang Fahrenheit con hay sit dung d Hoa K. Ba
thang nay khac nhau ve dQ ldn cua dQ va/hoac nhiet dQ cila diem 0 (zero).
Thang Celsius (Moe dung tii the kY XVIII do nha thien van hoc Thuy Dien
Anders Celsius (1701 - 1744) de xuat, data tren su thay dOi tra.ng thai vat lY
dia nude: 0°C la diem bat, dau dong bang dia nude va 100°C la diem soi cua no
ap suat khi quyen binh thuong). Thang Kelvin (tuyet dol) do nha vat lY
Anh William Thomson, con dtioc biet vdi ten Lord Kelvin (1824 - 1907)
de xuat nam 1854, c6 ding dQ Ion v6 dQ vdi thang Celsius, nghia la de bang
1/100 cUa khoang gifia diem dong bang va diem soi cua nude, nhung khac
nhau v6 di6m 0 (zero). Nhiet dO. s6 OK (dO 0 tuyet d6i) là -273,15°C, vi the nude
dong bang a 273,15 K (0°C) va soi d 373,15 K (100°C). Vi vay, cach chuyen doi
gifia hai thang Celsius va Kelvin nini sau:
T (K) = t (°C) + 273,15 (1-3)
t (°C) = T (K) — 273,15 (1-4)

27
 Thang Fahrenheit khdc hai thang kia d diem 0 va do lon cua clO. Nu &
&rig bang d 32°F va soi a 212°F. VI the, 180°F (212°F - 32°F) dai din cho ding
mot su thay doi nhigt dO Wong -tang vdi 100°C (hay 100 K), vay:
1 oc = '180\= o9 ° F = 1,8 °F (1-5)
100, 5
He chuyen thanh °F, trttOc tien chuydn do lOn ciia do va sau do digu
chinh diem 0:
(oF) 9 t cc) + 32 (1-6)
5
He chuyen °F thanh °C, tilt& het digu chinh diem 0 va sau do digu chinh
do lon dm do:
5
t (°C) = [T (°F) - 32] x - (1-7)
9
(Chi có duy nhat mot nhiet do ma tai do 2 thang Celsius va Fahrenheit
triing nhau la -40°, nghia la. -40°F = -40°C).
* Bai tap van dung:
Than nhigt cita met dila tre do duoc là 101,7°F.
a. Neu than nhigt binh thuang la 37°C, vay dila tre cif) bi sot?
b. Nhigt do cila dila tre do theo do Kelvin la bao nhieu?
Giai:
a. Chuyen nhigt do tit °F sang °C theo phuong trinh (1-7):
t (°C) = [101,7 - 32] x 5/9 = 38,7 °C
Vay, dila tre bi sot (vi than nhiet cao hdn 37°C).
b. Chuyen tit °C sang K theo phttong trinh (1-3):
T (K) = 38,7 °C + 273,15 = 311,8K
Vay, nhang dila tre có than nhigt 311,8 K phai xem la bi sot.
- Thai gian: don vi co ban la gidy (s). Hien nay thai gian duoc do chia tren
tieu chuan nguyen tinh theo su phat xa vi song tit nguyen tit cesium
(Cs) bi kith thich. MOt phan ling hod hoc nhanh xay ra trong vai nano
giay (10-9 s), trong khi nhiing phan ling cham, nint qud trinh gi cua sat
hay stl gia sinh hoc c3 nguai, xay ra trong thai gian dai duoc do bang
thdng, nam.
Nhigu nha hod hoc hign clang diing tia laser de nghien citu nhfing bier'
d6i hod hoc xay ra trong vai pito giay (10' s) hoac tharn chi chi vai femto giay
(10' s).

28
5. SO HIEU NGUYEN TLS, SO KHOI, KY HIEU HOA HOC
— Hinh anh dai Wang v6 nguyen tit hien dai dUcic the hien 6 Hinh 1.4.

Vung chiem cif bcii

electron dien tich am
Khoang 10'' m

Hat nhan
Hinh 1.4. Cau tao dai cu'ong cOa
nguyen tit hien nay
A. Mot may cua cac electron tich dien am dang
chuyen clang nhanh va chiam cif hau nhtt town ba
the tich nguyen tit va xung quanh mat hat nhan
rat nh6 be nam 6 trung tam.
B. Hat nhan mang hau nhu' town ba khai luting
cOa nguyen tit, g6m cac proton tich dien du'ang
va neutron kh6ng dien tich. Kich thu'Oc hat nhan
v6 cung nha [neu phang to duting kinh hat nhan
A Nguyen to bang khoang 1 cm, nhu' hinh ye a day, thi eluting
kinh nguyen tit se khoang 100 m - dai han mot
Proton san bang dab
(then tich &rang)
Neutron
(,khong dien tich)

Khoang 10" m

B Hat nhan

— Bang 1.5 tom tat dac trting oda cac hat dtioi nguyen tit có trong nguyen
tit cac nguyen to.
Bang 1.5. NI-Ong dac cua cac hat ca b5n tao thanh nguyen tit
Ten Dien tich Kh6i Wong Vi tri trong
(Ky hieu) Tilting d6i Tuyet d6i Tilting d6i Tuyet d6i nguyen tit

Proton
1+ 1,602 x 10-19 C• 1 1,673 x 10-24 g Hat nhan
(13+)
Neutron
(no) 0 0 1 1,675 x 1024 g Hat nhan

Electron hat
1— -1,602 x 10-19 C 1/1837 9,109 x 10-28 g nhan
(e-)
(* Culong (C) la don vi dien tich cua N SI)
- So- hieu nguyen (Z) cua mot nguyen to bang s6 proton trong hat nhan
cua moi nguyen tit cua nguyen to do, va khac s6 hieu nguyen tif cua cac
nguyen to khac. Z ciing bang s6 electron trong nguyen tit va bang so this

29
 tai cua nguyen to trong Bang tun hoan. Vi du, tat ca cac nguyen tit
carbon (Z = 6) c6 6p+ , 6 electron va la nguyen to this 6 trong Bang tudn
hohn; cac nguyen tit oxy (Z = 8) c6 8p+, 8 electron va la nguyen to this 8
trong Bang tun hoan v.v...
— So kit& (A) là tong se; cac proton (Z) va cac neutron (N) trong mot nguyen
Vi m6i proton ho4"c moi neutron c6 khoi luong xgp xi bang met ddn vi
khgi luting nguyen tit, nen:
A=Z+N (1-8)
c6 gia tri gdn dung (hoac tri s6 da chick lam trop) cUa khollUOng nguyen
tii (c6 thg b6 qua kh6i Wong cila electron vi no rat nhO, chi bang 1/1837 kh6i
luting dm proton ho4c neutron). VI du, hat nhan cila carbon c6 6 proton va 6
neutron, nen s6 kheci A hay kh6i
Wong nguyen tit dia carbon bang S6 khe.ii
12; mot nguyen tit uranium chlfa 92 (p+ + n°) KS/ hiOu
proton va. 146 neutron trong hat nguyen tit
So hiOu ---
nhan nen se; khol A hay kheci Wong nguyen tit
nguyen tii dm uranium la 238. (13+ )
KY hieu nguyen tit (hoc kY
hieu nguyen to): m6i nguyen to
c6 mot kST higu theo ten goi
tigng Anh hoac tigng Latin hoac MOt nguyen ti! carbon - 12
Hy Lap cila no, chang han C cho t?
carbon, 0 cho oxygen, S cho
sulfur (luu huSmh)... Nguai to
ghi them sec khea (A) phia tren
va so- proton (Z) phia diidi vao Mot nguyen tit oxy - 16
ben trai cua kST higu nguyen to.
Muein tim se; neutron ciia hat
nhan thi do2i ye phuong trinh 1-
8 a dUcic N = A - Z. Vi du,
nguyen tit clor &toe kST higu
-; Cl, vay A = 35, Z = 17 va N = Mot nguyen ti:( uranium - 238
35 - 17 = 18. Hinh 1.5 minh hoa
Hinh 1.5. Cach bigu thi nguyen
cach bigu thi chung cho nguyen cua cac nguyen t6
tit X bat kST va rieng cho ba
nguyen tif cu thg.

6. HONG VI VA KHOI LONG NGUYEN TU' CUA CAC NGUYEN TO

6.1. Diing vi
Cac nguyen tit cua mot nguyen to khong hoan toan d6ng nhgt v6 kh6i
Wong. TA ca cac nguyen tif carbon c6 6 proton trong hat nhan, nhttng chi

30
98,89% s6 nguyen tit carbon ton tai trong thien nhien c6 6 neutron (A = 12),
con 1,11% co 7 neutron (A = 13) va 8 neutron (A = 14).
Ccic ddng vi cita mot nguyen to let nhiing nguyen tit' co so- neutron khcic
nhau vet do do kit& nhau ve so khoi.
Carbon có 3 thing vi 12C , 13C, 14C ton tai trong thien nhien va 4 d6ng vi
10 c, 11c, 15C va 16 C dtioc sinh ra trong cac hien dtli hat nhan. Tat ca 7 d6ng vi
cua carbon deu có 6 proton va 6 electron, chi khac nhau s6 neutron. Tinh chgt
hod hoc ciia met nguyen to ye cd ban duoc quygt dinh bai s6 electron, do do cac
thing vi c6 hau het cac tinh chgt hod hoc giong nhau.

6.2. Khici hicing nguyen tit

Vi kh6i Wong nguyen tit vo ding nh6 nen khong the do bang cac don vi
kh6i luring thong thttang. Moi do Wang can phai có chuan do. Chudn khoi
nguyen hien nay la nguyen tet carbon - 12 (12C) va khoi luring cua no
du oc quy dinh chinh xac la 12 don vi khoi Wong nguyen tit. Nhtt vay, ddn vi
khoi lu'dng nguyen let 1112 khoi lu'dng cua mot nguyen carbon - 12 (tam
quy uric viet tat la: dv12 C). Theo chuan nay, mot nguyen tit 1H có kh6i luong
1,008 dv12 C; not cach khac, mot nguyen tit 12 C co khoi Wong lon hdn gam 12 lan
khoi Wong cua mot nguyen tit 1 H. Gan day nguai ta de nghi goi ddn vi khgi
Wong nguyen tit (dv12 C) la Dalton (D), theo do mot nguyen tit 12C có khoi
Wong 12 dalton (12 D).

6.3. lihoi hidng nguyen tit dong vi va khoi hicing nguyen tit cua nguyen to.
Cac di3ng vi cua mot nguyen to &foe xac dinh bang kh6i pho (mass
spectrometry), mot philong phap do cac khoi lung Wong d6i cua cac tieu phan
trong mot mau rat chinh xac. Vi du, sit dung may khoi phO, chimg ta do thick
tY' s6 kh6i lung gala nguyen tit 'Si va 12 C la:
Kh6i luring cua nguyen tir 28Si
= 2,331411
Kh6i luring cua chuan 12 C
Tit tS'T s6 kh6i Wong, ta tim thgy khgi Wong dtIng vi cua nguyen tit 'Si so
voi &sing vi chuan carbon - 12:
Kh6i Wong d6rig vi cua 'Si = Ty so khoi hiring do dttoc x Khoi luring cua 12C
= 2,331411 x 12 dv12 C = 27,97693 dv12C
May khgi pho7 có the do duoc hop phan cua nC6i thong vi trong mot mau
nguyen to. Cach do nay la pinking phap de tim khoi Wong nguyen tit cua mot
nguyen to. \Tay, khoi lu'dng nguyen tt'z' cua mot nguyen to let gid tri trung binh
cac khoi lu'dng czia cac ddng vi nhien ceict nguyen to do.

31
 * VI du: Bac (Ag; Z = 47) có 16 d6ng vi, nhitng chi có 2 ct6ng vi 107Ag va
1-(19 Ag ton tai trong thien nhien (s6 con lai la quan sat ditoc trong phong thi
nghiem d cac bie'n d6i hod hoc khdc nhau). Cac s6 lieu cho bi6t tit may kh6i
pho nhLt sau:
D6ng vi Khoi Wong (dv 12 C) Ty le phan tram (%) trong mau
io7Ag 106,90509 51,84
losAg 108,90476 48,16
Vdy:
voi IwAg: Phan khoi ltiOng nguyen tit = Khoi litOng ang vi x T le trong mau
106,90509 dv12C x 0,5184
= 55,42 dv12C
vdi 1°9Ag: Phdn kh6i Wong nguyen tit = 108,90476 dv12C x 0,4816
= 52,45 dv12C
Tit do tim thay khoi It nguyen tit ciia bac la:
Kh6i Wong nguyen tit cua Ag = 55,42 dv12C + 52,48 dv12C
= 107,87 dv12C
Ke't qua nay dude ghi vao Bang tun hoan cho nguyen to Ag. VI du vita
neu co tam quan trong de hie'u thau lido rang, khong có mot nguyen tit bac
rieng le nao cua kim loaf bac lai có kh6i Wong dung bang 107,87 dv12C. Song,
de tinh toan trong nghien citu, chting ta xem nhu' nguyen togo'm ccic nguyen
eó khoi trung birth tim thdy (vi du, Ag = 107,87).
- Khoi phan mot chat la khoi Wong cria mot phan tit chat do
tinh bang dv12 C va bang tong kh6i Wong cdc nguyen tit ciaa cdc nguyen to
co trong phan tit. VI du, phan tit H2O có khoi Wong phan ta bang 18,015
dv12C, ciia glucose 061112 o6 la 108,6 dv12C.
(chil Y: thuang ngtfai ta khong ghi kern khoi Wong nguyen tit hay phan tit
chit dv12 C, nhttng ta luon phai hidu la tinh theo don vi do).
7. MOL (vik Vat ciia Mole là mot trong 7 dein vi cd ban ciia he SI)
- Dinh nghia: mol la Wong chat chita s6 phan tit ding cau true (nguyen tit,
phan tit, ion, dein vi tong thitc) bang s6 nguyen tit trong chinh xdc 12g
carbon - 12.
SS nay dude goi la s6 Avogadro, do la con so khong 16: 1 mol chita
6,022.1023 phan tit ding call true (voi 4 chit s6 có nghia). VI vdy, 1 mol cdc
nguyen tit carbon - 12 chita 6,022.1023 nguyen tit; 1 mol phan tit H2O chita
6,022.1023 phan tit va 1 mol don vi tong thitc NaC1 chita 6,022.1023 don vi tong
thitc. Ngitai ta ding not 1 mol electron chita 6,022.1023 electron; 1 mol proton
chita 6,022.1023 proton; 1 mol anh sang chita 6,022.1023 photon.

32
 Luring chat tinh theo mol chi dung cho cac hat vi mo va can chi ra chinh
xcic ddn vi caa trice cu the' la gi. VI du, can phan biet mol nguyen tit Cl, mol
phan tit C12 va mol ion hoac mol don vi ding thitc (lien kdt) C—C, mol don
vi ding thac (lien kdt) C=C va mol don vi cong thitc (lien kdt)
[Khong the dung khdi niem mol cho cac vat the binh thitang vi se titling
diking vOi mot Wong chat lon kilo Wang Wong. Vi du, 1 mol cia cac dau cham
(.) xep gdn nhau se dai bang &tong ban kinh cua dai ngan ha; 1 mol cac hOn bi
thug tinh ma tre con chili ciao xdp chkg sit len nhau se vai lap ca dien tich
chau Au di 6i do sau 62 dam x 1,61 km/dam 100 km!].
Met mol tieu phan caa met chat da bidt có met kh6i Wong xac dinh. VI
khoi long nguyen tit la co dinh, mol cho to cdch xdc dinh s6 nguyen tit,
so phan tit hay cton vi cong thitc trong mot mau khi dem can.
16i vOi nguyen to, can nh6 2 diem da neu phia trit6c:
Kho'i Wong nguyen tit cua mot nguyen to la s6 trung binh can ditoc caa
cac khoi Wong cac clung vi tit nhien cua nguyen to do.
De tier: hanh can &toe, tat ca cac nguyen tit caa met nguyen to dude xem
la có ding khoi Wong nguyen tit. Nghia la, tat ca cac nguyen tit lttu
huSTnh deu có khoi Wong 32,07 dv12C; tat ca cac nguyen tit sat deu co
khoi laong nguyen tit la 55,85 dv12C; v.v...
M6i quan he chi yeu gicia khoi Wong cila met nguyen tit va khoi Wong
caa 1 mol nguyen tit do, la: khoi luring nguyen mot nguyen to du'dc biea
thi bang dv12C c6 cling gici tri ve so- vol OA lacing mol nguyen tic' cua nguyen to
do dude biea thi bang gam.
Dieu nay co nghia la mot nguyen tit Wu huynh co khoi litOng 32,07 dv12C,
va 1,mol nguyen kw huSrnh co kh6i Wong 32,07 gam. Titling tit, met nguyen
tit sat c6 kho'i Wong 55,85 dv12 C, va 1 mol nguyen tit sat c6 khoi Wong 55,85
gam. Tit do co the suy ra, 1 nguyen tit lau huSTrih nang bang 32,07/55,85
nguyen tit sat, va. 1 mol nguyen tit li.tu huSTnh nang bang 32,07/55,85 met mol
nguyen tit sat.
Ddi vdi cac hdp chat m6i quan he cang Wong khoi luring phan tet cact
mot hdp chat biea thi bang ctv'C bang ve mat so- vdi khoi luring 1 mol czia hop
chat- d6 bieu thi bang gam. Vi du, khoi Wong phan tit nit& la 18,02 dv12C, vb. 1
mol nitric (6,022.1023 phan tit) co khoi litong 18,02 gam; khoi Wong phan tit caa
NaC1 la 58,44 dv12C, va 1 mol NaC1 (6,022.1023 don vi ding thitc) có khoi Wong
58,44 'gam.
Mol la don vi rat hail ich vi no gan lien s6 Wong cac phdn tit hod hoc
ding ca.'-u true vOi khoi Wong caa met mdu caa cac phdn tit nay. [MOt ngithi
bdn hang khOng the tinh 1 td tritng bang each can vi cac qua trang c6 khoi
Wong khdc nhau. Ngitoc lai, met nha hod hoc c6 the thu &toe 1 mol nguyen tit
d6ng (chlia 6,022.1023 nguyen tit), hay bat kST met tST le nao caa con s6 ay, chi
don gian bang cach can 63,55 gam dtIng, hay bat kS7 met CST le nao caa khoi
Wong 'ay].

33
 Mat khac, cluing to ca the sit dung mai quan ha not tren da tInh kh6i
lacing bang gam cila mat don vi khoi Wong nguyen tit:
1 nguyen tit 12C x 1 mol 12C 12g
1 dv'2C . x
12 6,022.1023 nguyen tt7t '2C 1 mol '2C
= 1,661.1024 gam
Va vi the, s6 Avogadro cila don vi kh6i Wong nguyen tit la hiOng chat c6
kh6i Wong 1 gam:
(6,022.1023 dv12 C) x (1,661.1024 g/dv12C) = 1,000 gam
* Chuyan khoi Wong va so/ Wong ra mol
Kh6i Wong mol (kST hiau M) cua mat chat la khoi Wong cila 1 mol phdn tit
ding cau trtic (nguyen tit, phan tit, ion, don vi ding thitc) cila chat do va c6 don
vi la g/mol. Chang han khoi Wong mol cua sat la 55,85 g/mol, cUa ntt6c la
18,02 g/mol. Bang 1.6 tang kat cac thuat ngit biau thi kh6i Wong nguyen tit va
thang do 16n hon.
Bang 1.6. T6ng kgt cac thuat khOi lacing
Thuat ngil Binh nghia Dan vi
dv12C
Kh6i !Vona Kh6i lu'ong cita mot dung vi cita mot nguyen to
dong vi -
(bon vi kh6i IVong
nguyen tit)
Kh6i krong SO trung binh dia cac khoi Wong cim cac d6ng vi On dv12c
nguyen tit tai tv nhien cita mot nguyen to
Kh6i lu'ong TOng cac kh6i Ivong dm cac nguyen t1t (hoac ion) dv12c
phan tit trong mot phan tit (hoac trong don vi cong th(tc)
Khoi lu'ong ciia 1 mol cita cac phan tit hoa hoc ding
KhOi ktong
mod (M) cau truc (cac nguyen tit, cac phan tit, cac ion, cac don g/mol
vi cong thk)

Chu 31:
Tgt ca cac thuat ngit deu data tren chuan carbon - 12:
1 don vi khoi Wong nguyen tit (dv12 C) = 1/12 khoi Wong Gila. 1 nguyen tit '2C
Gia tri khoi Wong ghi trong Bang tuan hoan la khang don vi, vi d6 la
kh6i Wong nguyen tit taring doi cho bai. kh6i Wong nguyen tit cila mat
nguyen to so v6i 1/12 khoi Wong cim 1 nguyen tit I2C:
Kh6i lacing nguyen tir (dv12C)
Khoi lacing nguyen tir turong d6i
1/12 kh6i ltto'ng cua I2 C (dv12C)
Ngay nay, dai Wong mol duoc thay the cho nguyen tit gam, phan tit gam,
ion gam vi d6 la dai Wong tang quat hon
Mol la don vi cho phep tInh dttoc khoi Wong hay s6 Wong cac phdn tit hoa
hoc ding eau trUc trong mat mall vat chat cho tru6c. Nguoc lai, biat khoi Wong

34
hay s6 Wong phan tit hod hoc ding call true cita mot chat cho tilt& ta tinh
&toe s6 mol. Co the vigt ra mot s6 cong that duoi day:
mol)
Kho'i Wong (g) = SO' mol x S6 gam (cud. (1-9)
1 mol
1 mol
S6 mol = Khol Wong (g) x (1-10)
S6 gam (ciia mol)
6,022.1023 phdn tir ding u trot
trc
S6 phan tit ding cau true = S6 mol x (1-11)
1 mol

S6 mol = SO' phan tit ding egu true x 1 mol (1-12)

6,022.1023 phdn tir cling au true
* VI du van dung 1:
a) Co may gam bac (Ag) trong 0,0342 mol Ag?
b) Co may nguyen tit Ag trong 0,0342 mol Ag?
Giai:
a) Vd.n dung ding thitc 1-9, ta có:
107,9 g Ag
KhCii luong (g) Ag = 0,0342 mol Ag x = 3,69 g Ag
1 mol Ag
b) Vdn dung cong thitc 1-11, ta có:
nguyen tir Ag
S6 nguyen Ag = 0,0342 mol Ag x 6,022.102'
1 mol Ag
= 2,06.1022 nguyen tit Ag
* Vi du van dung 2: có bao nhieu nguyen tit sat (Fe) trong mot mdu sat
ro.ng 95,8g?
Giai:
Vdn dung ding thitc 1-10, ta ditoc:
mol Fe
S6 mol Fe = 95,8 g-Fe x 1 = 1,72 mol Fe
55,85 g-Fe-
Vdn dung cong thitc 1-11, ta có kgt qua:
6 022.10' nguyen to Fe
So nguyen tir Fe = 1,72 mol Fe x '
1 mol Fe
= 1,04.10' nguyen tit Fe
* VI du van dung 3: Mangan (Mn) la nguyen to chuyen tigp, thigt ygu cho
su truing thanh cua cdc xtfOng. Kho'i Wong ciia. 3,22.1020 nguyen tit Mn la bao
nhieu? (Day la sec Wong nguyen tit Mn can de xay dUng 1 kg xttOng ngtfai du
ran chic).

35
 Giai:
Ket hop cong thlic 1-12 va 1-10 ta tim throe ddp so:
Khi prong (g) Mn = 3,22.1020 1 mol Mn X 54,94 g Mn
x
6,022.1023 nguyen tir Mn 1 mol-Mn-
= 2,94.10 2 g Mn
* VI du van dung 4: kho'i hiOng mol caa mot hdp chdt la tang cac kho'i
Wong mol cua cac nguyen to c6 trong cong al& hod hoc. Tit do, ta c6 cac thong
tin dinh Wong theo ding thirc cila glucose (C6H1206) dtrOc the hien '6 Bang 1.7.
Bang 1.7. Th6ng tin chaa tong cong thut hoa hoc dm glucose C6H1206
(M = 180,6 g/mol)
Carbon (C) Hydro (H) Oxy (0)
SO nguyen to/phan tif dm hop
6 nguyen tit 12 nguyen tit 6 nguyen tit
chat
S6 mol nguyen tit/mol cila hOp chat 6 mol nguy8n tit 12 mol nguyen tit 6 mol nguyen tit
S6 nguyen tillmol cua hop chat 6.(6,022.1023 ) 12.(6,022.1023 ) 6.(6,022.1023 )
nguyen tit nguyen tit nguyen tit
Kh6i luting/phan tir coa hop chat 6.(12,01 dv12C) 12.(1,008 dv12C) 6.(16,00 dv12C)
= 72,06 dv12C = 12,10 dv12C = 96,00 dv12C
Kh6i lu'ong/mol ciia hop chat 72,06 g 12,10 g 96,00 g

Qua cac vi du neu tren, ta lttu Sr:

+ KhOi Wong cua mot m'au va so phdn tit ding cdu true ma no chira deu
c6 lien he true ti6p vdi mol nhung khong c6 lien he vdi nhau. Vi vdy, de
chuyen doi gifia chung, truck het phai chuyen sang so mol.
+ Khi giai quye't nhung van de lien quan den moi quan he: kho'i Wong -
mol - so phdn tit, chung ta sit dung:
— KhOi Wong mol (M tinh theo g/mol) de chuyen gala mol va kheci luong.
— SO Avogadro (6,022.1023 nguyen tit/mol) de chuyen gitta mol va se)"
nguyen tit
8. CAC DINH LUAT VE TRANG THAI KHi LY TU'ONG - THE TICH
MOL CUA CAC CHAT KHI
— Khi VT Wang (phan tit la chdt diem, gift cac phan tit khong c6 Wong tdc)
c6 cac tinh chdt tuan theo phirong trinh trong thdi cila Clapeyron -
Mendeleep:
PV = nRT (1-13)
vdi P la dp sudt kill; V - the tich T - nhiet do thang Kelvin; R -
hang se khi; n - so mol khi. Nhi6u khi tlruc n6ng dO thing dOi lodng va d dp
sudt, nhiet do khong qua xa diet' kien thtrang cling co tinh chdt tuan theo
phirong trinh tren.
 Tit dinh luat chung theo phtiong trinh 1-13, c6 mot s6 trtiong hop rieng
khi hai thong so/ trang thai duoc c6 dinh.
Khi T va n = const (Dinh luat Boyle) thi:
PV = nRT = const
13/
hoa.c P1V1 = P2V2, tit do V2 = V1 x (1-14)
P2
day, P1, V1 16. nhang gia tri ddll
P2, V2 la nhang gia tri cuOi
Khi P va n = const (Dinh 1u4t Charles) thi:
✓ nR
—= = const
T P
hoac
V1 V2 ,tit do V2 = V1 x T2 (1-15)
T1 T2 Ti

o day, T1 la nhiOt dO d'au; T2 là nhiOt do cuoi

Khi V va n = const (Dinh luat Gay - Lussac) thi:
P nR
—= = const
T V
PI = P2 (1-16)
ho4c , tit do P2 = P1 x T2
T2 T1
Khi P va T = const (Dinh luat Avogadro: O dp suat va nhi4 dO nhat
dinh, nhang th4 tich bang nhau cua moi chat khi de'u chita ding mot s6
pha.n tit), vay:
✓ RT
= const
n P
V1 V n
hoac = 2 ,tit do V2 = V1 x 2 (1-17)
n1 n 2 n i
Chu y: hang so- khi. R trong phtiong trinh trang thai cila khi 1ST Wang c6 cac
gia tri bang so- khac nhau tuST thuOc vao don vi tinh caa P, V, n va T. VI du, 6 di6u
kin chuan \Tali T = 273,15°K (0°C) va 1 atm (760 Tor hay 760 mmHg), thi:
PV 1 atm x 22,414 L atm.L
R= = = 0,08206
nT 1 mol x 273,15 °K mol.° K
Hoac trong cac don vi kh6.c dm P hoc V thi R c6 nhiing gia tri bang so-
voi cac don vi la:

37
 mmHg.L mmHg.mL
R = 62,36 R = 62400
mol.° K mol.° K
J cal
R = 8,314 R = 1,987
mol.° K mol.° K
Thg tich mol cua cac khi: tit dinh luat Avogadro c6 thg suy ra rang, mot
mol cua bat kST khi nao (don chat, hop chat, kg ca h6n hop khi) dgu chigm
mot thg tich nhti nhau dual ding digu kign ap suat va nhiet dO. O digu
kien tieu chuan, the tich ay la:
nRT 1 mol x 0,08206 Eatm/mol.° K x 273,15 °K
Vo —
P 1 atm
= 22,4 lit (chinh xac la 22,414 L).
Thg tich nay duoc goi la thg tich mol tieu chuan caa khi.
* Dinh luat Dalton vg Ai) suat rieng phdn
Ap suat toan phdn cua mot hem hop khi khong toting tac vdi nhau la tong
cac ap suat rieng phdn caa m61 khi:
Prong = P1 + P2 + Pi
+ (1-18)
Goi ni la so mol caa khi i trong h6n hop. Vay; tong s6 mol khi caa h6n
hop la:
k
n= ni
i=1
Nha dinh haat Dalton, ta c6 thg thay n va ni vao pinking trinh trang thai
khi 1ST Wang (phuong trinh 1-13) dg thu dUoc:
k RT
Pt6ng = En. (1-19)
i=i V
RT
va Pi = ni (1-20)
V
6 day, Pto,„g la ap suat chung cita h6n hop khi; V la thg tich chung cila
hein hop do; Pi la Ala suat rieng phdn caa khi i trong h6n hop.
Lap tST s6 gifia Pi va Pt6ng, ta c6:
Pi n
k
= Ni (1-21)
Prong
E
i=1
ni

Rut ra: Pi = Ni•PttIng (1-22)

38
 day, NT; la neng do phdn mol cira Mai i trong hen hop.
Vdy, cip sudt rieng plain dm mos khi ty le vdi tieing ct6 phcin mol ceta no
trong hon
9. DU'ONG LU'gNG
Tit dinh ludt thanh phdn khong d6i ta thy rang cac nguyen to ke't hop
vdi nhau theo cac tY' le ye Wong xac dinh nghiem ngdt. Do do, ngtkdi ta dua vao
hoa hoc khai niem daring Wong, Wong tai nhii khai niem khoi Wong nguyen tit
va kh6i Wong phan tit.
* Dinh nghia:
Thuc nghiem hod hoc xac dinh rang: 1,008 khoi Wong hydro tac dung visa
du vdi:
8,0 kh6i Wong oxy de tao thanh nude (H20)
35,5 clo hydro clorid (HC1)
23,0 natri natri hydrid (NaH)
16,0 huynh hydro sulfid (H2S)
3,0 carbon metan (CH 4)
v.v...
S6 phdn khoi Wong ma cac nguyen to tac dung visa du vdi 1,008 phdn
khoi Wong hydro lai tac dung visa du vdi nhau de tao thanh cac hop chdt khad.
VI du:
8,0 khoi Wong oxy + 3,0 kh6i Wong carbon carbon dioxyd (CO2)
35,5 kh6i Wong clor + 23,0 khoi luring natri --> natri clorid (NaC1)
16,0 khol. Wong litu huynh + 3,0 khoi hiring carbon --> carbon disulfid (CS2)
v.v...
Nguei ta goi s6 phdri kh6i luring ma cac nguyen to tac dung visa du vdi
1,008 phdn kh6i Wong hydro (va lai tac dung vita du vdi nhau) la diking Miring
cua cac nguyen to, kS7 hieu là E (equivalence), va EH = 1,008; E0 = 8;
Ec1= 35,5; Es = 16; v.v... chu ST rang, during hiring la s6 phdn khoi hiring hiring
diking giiia cac ,chdt trong phan ling nen có the sit dung bdt din kh6i
Wong nao'de bieu thi no (mg, g, kg...).
Do chinh tit khai niem &tong Wong neu tren ma viec xac dinh diking
hiOng cua mOt, nguyen to hay oda met hop chdt khong nhdt thiet phai xudt
phat tit hop chdt caa chling vdi hydro. VI du, de tim diking Wong clia kern (Zn)
khong the xudt phat tit phan ling cila kern vdi hydro, vi ci dieu kien thueng
phan sing nay khong xay ra. Tuy nhien, thtic nghiem de" clang cho thdy: 32,5
khoi Wong kern tac dung vita du yeti 8 khoi Wong oxy (1E 0) de tao thanh kern
oxyd (ZnO), vdy, Ezn = 32,5. Hoc de tim daring Wong H2SO4 khong the bang
cach cho acid nay tac dung vdi hydro bode oxy, nhting thitc nghiem cho big: 49

39
khoi Wong H2SO4 tacdung visa du v6i 32,5 khoi luting kern (1Ezn), vay EB2so, = 49.
Tit day, có the diia ra dinh nghia chung cho during hiong:
Duong Wong cua mot nguyen to hay hop chat la so phdn khoi Wong cila
nguyen to hay hop chat do kk hop hoac thay the vita du v6i 1,008 phAn khOsi
Wong hydro hoSc 8 phdn khol. Wong oxy hoac voi mot &long Wong cila bat liST
chat 'rho khac da bie't.
- Trong thilc t6 ngtiai ta thuang dung &icing luring gam, vdi quy
Dating Wong gam dm mot chat là Wong chat do duoc tinh bang gam va
có tri s6 bang &icing long cila no.
Nhii \Tay, EH = 1,008 g ; E0 = 8 g ; ENa = 23 g
Ezn = 32,5 g ; E r-129:1)4' 49 g
Dinh lust &tong Wong cila Dalton:
Cac chat tac dung vdi nhau theo cac khoi Wong tS7' le veil duong liking cua chung.
Noi each khac: so during hiring cua cac chat trong phan iing phai bang nhau.
Dinh lust duoc the hien qua he thfic don gian:
m• = E A• MA mB
hoac (1-23)
mB EB EA EB
6 day: mtA, mB la khoi luting tinh bang gam caa chat A va chat B trong
phan ling
EA, EB la &long Wong gam cila chat A va B
Dinh luSt &long Wong cho phep Ur-1h khoi Wong mot chat trong phan
itng n6u bie't &tong hiong cua cac chat va khoi Wong tac dung cila chat
kia. VI du, tinh khooi tong khi clor tac dung het v6i 3,45g natri, bie't ENa
= 23; Ea = 35,5. Ap dung pinking trinh (1-23) c1.6 clang tim thay:
3,45g _ m 0 3,45g x 35,5
= = 5,33g
23 - 35,5 23
Voi khai them ndng dd during luring là so- chicing lu'o'ng gam chdt tan có
trong 1 lit dung dich (14 hieu N vie't sau tri s6 during Wong), dinh luSt
&tong Miring duoc sit dung rSng raj trong phep phan tich chuan dS.
Chang han, can bao nhieu ml dung dich kiem B Oat la VB) de trung hos
het VA ml dung dich acid A do nemg dO daring Wong la NA. Bik ang dS
&icing hiring clia dung dich kiem B la NB.
Ap dung dinh it* during Wong: s6 during Wong cira cac chat trong phan
itng phai bang nhau, ta co:
VA VB VxN
- x NB VB = A (1-24)
1000 x NA 1000 NB

40
 Phvong trinh (1-24) dvoc dp dung cho tat ca cac phvong phdp phan tich
the tich (phvong phdp acid - base; phtiong phdp ket tiia; phtiong phdp phlic
chat; phvong phdp oxy hod -
nghia hod hoc dia khdi niem du'o'ng lacing lien quan trvc tiep den khdi
niem hod tri cua cac nguyen to. Trude day, nguai ta coi hod tri la kha
nang cad mot nguyen tit elm nguyen to c6 the ket hop hoac thay the bao
nhieu nguyen tit hydro hoac bao nhieu nguyen tit khdc tildng
vay, daring lu'dng cua mot nguyen to so do'n vi khoi lacing (so-phan khoi
lacing) cUct nguyen to Cry taring rang vdi mot do'n vi hod tri. Gina &icing
luting (E), hod tri (n) va khoi ltiong nguyen tit (A) cila nguyen to c6 mei
taring quan sau:
=A
E (1-25)
n
VI du, oxy c6 hod tri 2, kh6i Wong nguyen tit 16, nen:
16
Eo = — = 8
2
Neu nguyen to c6 nhieu hod tri thi during ltiong ciia no ciing thay d6i tuST
thu6c vao hod tri ma no the hien trong sari pham tao thanh sau phan ling. Vi
du, carbon c6 hod tri 2 va 4. ei phan ling: 2C + 0 2 = 2CO, carbon the hien
hod tri 2, nen E c = 12 = 6. COn d phan ling: C + 02 = CO2, carbon the hien
2
hod tri 4, nen Ec = 12 = 3.
4
Mo rOng khdi niem dtiong Wong cho cac hop chat, ta van nhan ray nghia
hod hoc cVa no la phan kh6i lvong ttidng iing vdi mot don vi hod tri ma hOp
chat dem trao d6i hoac ket hop vdi cac hop chat khdc trong phan ling. Chang
han H3PO4 = 98. Neu trong phan ling, phan tii H3PO4 chi trao d6i 1 proton,
hop chat dvoc xem nhti the hien hod tri 1, thi E i431,04 = 98/1 = 98; neu trao d6i 2
proton, hop chat thick xem nhtt the hien hod tri 2, thi = 98/2 = 49; con
neu trao d6i ca 3 proton thi hop chat H3PO4 thick coi la c6 hod tri 3 va phan
kh6i luring tticing iing vdi 1 don vi hod tri (tlic &icing ltiong cila no) trong
tracing hop nay la: EH3p04 = 98/3 = 32,7.
Cdc nha hod hoc hien tai quan niem: hod tri cua mat nguyen to la so- lien
ket hod hoc ma mot nguyen tet cua nguyen to do c6 the tao ra de ket cdc
nguyen tU' khcic trong phan
Cling \Mi khdi niem hod tri, ngvai ta ciing dung khdi niem s6 oxy hod cho
cac ion hoac cho cac nguyen to trong hop chat. Tuy kh6ng coy nghia vat 1ST ra
rani, nhat la trong cac phan tit phfic tap, nil-Ling so oxy hod khd tien dung cho
nhieu mat thtic hanh hod hoc.
Chinh vi khdi niem hod tri phdt triL va and rOng de gdn vdi ban chat
nhieu loai lien ket, nen theo d6, khdi niem &icing Wong ding can chtoc cu the
cho cac twang hop (each tinh diking Wong cua cac hop chat dvoc trinh bay
trong chuong 8 y6 Dung dich).

41
 Childng 2

CAU TAO NGUYEN 11- He THONG TUAN HOAN

CAC NGUYEN TO HOA HOC

MUC TIEU
I. Phan tich du'dc not dung yet y nghia ceict he theec De Broglie yet he that bdt
dinh Heisenberg.
2. Trinh bay thick ccic gici tri, y nghia va moi quan he cda 4 so ludng tie de mo to
trang thcii cda electron trong Innu nguyen theo cd hoc luring tee.
3. Viet du'dc cau hinh electron, ye duck so' dd o luring tie ceia ccic nguyen tee, tie do
suy docin du'o'c cau tao va tinh chat cua cdc nguyen to hoc.
4. Chi ra clu'dc nguyen nhan hinh thetnh ccic chu ky, nhom nguyen to sy' tuOn
hoetn ve bdn kinh nguyen tee, the ion hoa, di lu'c electron NI di) am den ctict cdc
nguyen toy.

1. CAU TAO NGUYEN TtY

1.1. Thanh phAn chinh cua nguyen tii
Nha tri6t hoc Hy Lap Leucippe là ngttdi dau tien. Wang Wong ra sLt ton
tai cua nguyen tit. Ong vao khoang nam 490 den nam 370 truoc cong
nguyen. Ong giai thich rang
rang chia nh6 mot vat thanh nhang phan nhO c16.n,
khi
cuoi ding dtioc nhang phan khong the chia nhO them dtioc nfia. Ong dat ten
cho thong la atomos. Theo tieng Hy Lap, atomos c6 nghia la khong chia nhO
dtioc. Chiang ta goi atomos la nguyen tit. Ong da ti cho rangneu c6 std khac
biet ro ret giita tat ca nhiing gi ton tai trong vu try la bai vi moi vat, moi sinh
vat dticic cau tao nen tii nhfing nguyen tit khac nhau lien ket lai.
Mai toi. nam 1808, Oa tren cd s6 that nghiem, nha khoa hoc Anh, Dalton
da neu ra gia thuye't nguyen tit goi la thuyet nguyen tit Dalton: nguyen tie la
hat nhO nhdt cau tao nen ccic chat, khong the' chia nhO han nie-a bang cdc
phu'dng pita]) hod hoc (xem mac 3, Chuang 1).
Sau do, nh6 nhang thi nghiem khoa hoc, ngttdi ta phat hien ra rang
nguyen tit khong phAi la hat vat chat cu6i ding ma no dttoc cau tao nen tit cac
hat vat chat nhO hdn la electron, proton, ndtron (xem Bang 1.5, Charing 1),
chling -CO nguyen tit c6 can tao phifc tap.

42
1.2. Mau nguyen tit tniac cd hoc 1udng tit
1.2.1. Mau nguyen tel Thomson
Sau khi ngtfoi ta phat hien ra electron tich dien am là thanh phan cua
nguyen tit, ngifoi dau tien neu ra mau nguyen tit là Thomson, ngitai. Anh, vao
nam 1904. Mau nay cho rang dien tich diking &toe phan b6 deu trong than the
tich cua nguyen tit va &foe trung hoa b6i cac electron ket chat trong "be dien
diking" ay.
LA mau dau tien con sd sai va som &foe thay the bang mau hanh tinh
nguyen tit Rutherford.
1.2.2. MCiu hanh tinh nguyen tie Rutherford

Tit ket qua cila thi nghiem ban pha la kim loci bang dan a (411e), nam
1911, Rutherford neu ra mau hanh tinh nguyen tit. Mau nay coi nguyen tit
Om met hat nhan tich dien diking tap trung hau het khei Wong caa nguyen
tit c1 trung tam va cac electron quay xung quanh hat nhan. Do sit quay caa cac
electron xung quanh hat nhan gieing nhu cac hAnh tinh quay xung quanh mat
troi trong he hA.nh tinh caa cluing ta, nen mau nay dit6c goi là mau hanh tinh
nguyen tit Rutherford.
Mau hanh tinh nguyen tit c6 gia triquan trong tren con dtiOng xay
dung thuyet cau tao nguyen tit. Tuy nhien mau nay con mau thuan vii thvc to
vg sit ton tai Wing ben caa nguyen tit hydro, vg quang ph6 vach c6 the quan
sat &toe bang mat caa nguyen tit hydro ma Balmer da tim ra nam 1885.
VI theo thuyet dien tit hoc c6 dien thi khi electron quay quanh hat nhan phai
lien tuc phat ra nang Wong chi& dang song then tit. Do do clan toi hai he qua:
- Ban kinh qug dao cda electron phai giam lien tuc, cal ding electron
chap vao hat nhan. Nguyen 6.'1 diet vong. Trong khi do, nguyen tit van
ton tai vfing ben.
- Do ban kinh quy„dao ciia electron giam lien tuc nen Vic do goc tang lien
tuc, tan s6 chuyen deng cua electron (se' vong quay trong 1 giay) tang
lien tuc, bifc xa dien tit cua nguyen tit hydro phai Om day cac tia c6 blioc
song giam lien. tuc, titc quang ph6 phat xa cua nguyen tit hydro phai la
quang ph6 lien tuc. Trong khi do tirkic t6 quang pho phat xa cua nguyen
tit hydro là quang ph6 vach.
Nhung han the trong mau hanh tinh nguyen tit cua thay Rutherford scam
duoc nguoi hoc tro cua Ong la. Niels Bohr, ngtioi Dan Mach giai quyet.
1.2.3. Witt nguyen tie Bohr (Niels Bohr)
Xuat phat tit matt hanh tinh nguyen tit (nam 1911) va tit thuyet luring tit
Planck (nam 1900), Bohr TA neu ra mau nguyen tit dit6c goi IA mau nguyen tit

43
Bohr. Mau nay gam hai tien de là co sa de' giai thich dtioc stl tan tai viing ben
cua nguyen tit hydro va quang pile; vach phat xa cua nguyen tii hydro. Trude
khi vao hai tien de cila mail Bohr to hay tim higu thuygt Wong tit Planck, mot
trong hai digm xuat phat dm Bohr.
* Thuygt luong tit Planck
MOt vat ran bi clot nong se phat ra bite xa nhiet do dao Ong cua cac hat
tich dien (electron, ion...). Pha thu duoc trong truang hop nay goi IA pha bite xa
nhiet. Dg giai thich pha bite xa nhiet, nha vat 1ST Ditc, Max Planck nam 1900
da neu ra thuygt hicing tit &toe goi la thuygt Wong 61 Planck nhtt sau:
Mat dao Ong tit dao dOng voi tan s6 v (nuy) chi c6 thg bite xa (phat ra)
hay hap thu nang Wong voi tiing Wong nhO xac dinh goi là luong tit nang
Wong E. Luting tit nang Wong E tST' le vdi tan sof v cua dao Ong tit
E = by (2-1)
O day h = hang s6 Planck = 6,626.10-2' erg.s = 6,626.10-34 J.s
a
Nang Wong cUa dao Ong tit phat ra hay hap thu clang bitc xa dien tit.
Anh sang cung IA bile xa dien tii duoc Maxwell chi ra vao nam 1865. Bai thg
thuygt 'gong tit Planck sau do duoc Einstein phat trign thAnh thuygt photon
anh sang.
T6m lai theo thuygt Wong tii Planck thi anh sang not rieng hay blic xa
dien tit not chung là tap hop nhfing luting tit nang Wong E = by.
Tia y, tia Roentgen, tia tit ngoai, anh sang trong thay, tia hang ngoai, bite
xa vi song, Vic xa song radio deu là cac bile xa dien tit. Chung chi khac nhau
ve boric song ma th8i. &foe song cua tia y ca 10-2 A°, cila bite xa vi song ca 1 m,
cila song radio ca 1000 m.
Thuygt Wong tit Planck coy nghia rat quan trong. N6 phan anh &toe
nang Wong (m8t clang ton tai ciia vat chat) c6 tinh chat gian do4n.
* Tien de 1 cUa Bohr. Ban kinh qug ciao, t6c do chuygn &ling va nang
luting cila -electron trong nguyen di hydro
Dtia tren quan niem nang Wong gam nhang Wong tii xac dinh cua
Planck, Bohr da dua ra gia thuygt rang electron trong nguyen tit hydro khong
the c6 nhiing gia tri nang Wong bat lqr, ma chi c6 mot s6 gia tri xac dinh, tilt
nang Wong cila electron là gian doan. Tit quan niem nay, Bohr neu ra tier' de
1 nhu
Electron chuyen (1-Ong xung quanh hat nhan nguyen ti' hydro theo melt so
quj) dao cho phep, khOng phcit va khong thu tieing Nhfing quji dao cho
pile]) có ban kinh thoci man ctieu kien: momen ctong liedng quj, dao czia electron
trong nguyen tee phai bang so- nguyen (n) Ian luvng ta' momen (--).

44
 Phudng trinh cua tien de 1:
h
m . v . r = n. (2-2)
2 . TC
day m = khos-i Wong clia electron = 9,109.10-28 g
v = to-c dO chuye'n dOng cila electron, cm.s1
r = ban kinh guy dao'ciaa electron, cm
n = nhfing s6 nguyen dozing, chi ro thai tu qug dao. Sau nay goi la
so- Wong tai chinh.
h = hang so- Planck = 6,626.10' erg.s = 6,626.10'4 J.s = 6,626.10'
kg.m".s-1
TE = sO pi = 3,1416
mvr = momen dOng Wong quy dao cila electron
h
= 1,0544.10-27 erg.s là Wong tai momen.
2it
Trong phUong trinh (2-2) có hai dai Wong v, r chua xac dinh
duoc hai dai Wong nay can xay dung them mot phuong trinh nfia sau day.
Theo di8n dOng hoc co dien , khi electron chuy6n dOng tr8n qug dao tron
mot cach b8n viing thi tong luc ly tam va luc hudng tam cUa electron phai
bang 0. Trong nguyen -al hydro, hic ly tam cUa electron dtfoc xac dinh bang
nang Wong chuye'n dOng cUa no va bang ban kinh r cua quy dao ma electron
chuy8'n Ong tren do. No bang m. v 2 . COn hic hang tam cUa electron ducic xac
r
dinh bang luc but tinh di8n•cila electron voi hat nhan. No bang _ 02 . Nhii vay
r2
to có ph-Lb:mg trinh:
m . v2 e2 (2-3)
(--T) = 0
r r
0 day m = khOi Wong tinh cUa electron, g
v = to-c dO chuy8n dOng cUa electron, cm.s-1
r = ban kinh quy dao clia electron, cm
e = di8n tich cila electron =-- 4,80286.10' dvtd (don vi tinh
Giai 118 phuong trinh (2-2) va (2-3) dude:
h2
. n2 (c m)
4 .7C 2 . e 2 m
2 it . e2
va (cm.s-1)
h.n

45
 Thay cac gia tri da bigt (h, it, e, m) vao (2-4) va (2-5) ditoc bigu thfic ban
kinh guy dao cUa electron:
r = 0,529. 10-8 . n2 (cm) r-t' 0,53. 10-8. n2 (cm) = 0,53 . n2 (A°)
r = 0,53 . x n2 (A°) (2-6)
va bigu thfic t6c do chuygn dOng cila electron:
1,90349 . 108 (cm.s-1) (2-7)
v =
n
Trong (2-6) va (2-7), n la so luong tii chinh, có the có the gia tri
1, 2, 3, ..., co.
- Theo (2-6) ta thay ngay ban kinh quy dao 67' le vdi binh phuong s6 this tu
quy dao. Thanh this so vdi ban kinh quy dao this nhat (n = 1) thi ban
kinh quST dao this hai (n = 2) gap 4 lan, ban kinh quy dao this 3 (n = 3)
gap 9 Lan, ...
Quy dao this nhat có ban kinh r = 0,53 A° duoc goi la ban kinh Bohr. Tri
so 0,53 A° nay thtiang dtioc dung lam don vi dai trong cac bai toan v6 nguyen
phan
- Theo (2-7) ta thay a guy- dao cang xa hat nhan thi to'c dO chuygn dOng cua
electron cang nhO. Thi du to'c dO dm electron d quy dao this nhat (n = 1)
la 1,90349 x 108 cm.s-1 = 1903,490 km.s-1, con d quy dao this nam (n = 5)
la 0,38069 x 108 cm.s-1 = 380,690 km.s-1.
- Nang Wong cila electron trong nguyen tii hydro:
Nhu ta da big, theo thuygt dien Ong hoc c6 dik, the nang cua hai vat thg có
Bien tich bang nhau (q) nhung nguoc dau (q va -q) dat cach nhau mot khoang r &foe
xac dinh bang bigu thlic - q2 . Con dOng nang cua mot vat the co khoi Wong m,

chuygn dOng vdi t6c dO v dtioc xac dinh bang bigu thlic m V2
2
Ap dung vao trtiang hop nguyen tit hydro, ta có: thg nang dm electron
dOng nang cUa electron là m • v2
2
là -e
r 2
Nang Wong chung (toan phan) cila electron bang tong dOng nang va thg
nang. Goi nang Wong chung cila electron d quy dao n là En, ta có:
m. V2 e2
E. = ) (2-8)
2 r
Thay r va v tit (2-4) va (2-5) vao (2-8) dude he thiic nang Wong toan phAn
dm electron a guy dao n la:
- 2 .7c2 .m.e4
E. = h 2 .n2 (2-9)

46
 Thay it = 3,1416; m = 9,1096 . 10-28 g; e = - 4,80286 . 10-10 dvtd;
h = 6,625. 10-27 erg.s vao (2-9) chtoc:
—21,799788. 10-12
En = (erg) (2-10)
n2
Do 1 erg = 0,624146. 1012 eV nen (2-10) tra thanh:
—13,6074
En = n2 (eV)

lay trOn &toe:

—13,60 (eV)
E. (2-11)
n2
6 day n la s6 this tit quy dao. 6 quy dao this nhat (n = 1), electron co nang
along la -13,6 eV. D6 ding la trang thai cd ban, ben viing cua nguyen tit hydro.
Sei di nang Wong c6 dau am la do quyti6c chon m6c the nang ciia electron
a khoang cach vo ding Nen nguyen tit) bang 0.
Voi n = 2 thi E = - 3,4 eV
Voi n = 4 thi E = - 0,85 eV
o cac quy dao cang xa hat nhan, nang Wong ciia electron cang lon, tien
dan toi 0.
* Tien d6 2 ciia Bohr. Quang ph6 phat xa nguyen tit hydro
Nam 1885, Balmer da tim ra day quang ph6 phat xa nguyen tit hydro
dau tien. N6 nam trong viing nhin thay, dttoc goi la day Balmer. Nam 1908,
Paschen lai tim thay day nita, goi la day Paschen. Ca hai day cl6u là quang
ph6 vach (Om nhi6u vach xep cach nhau). De m'au nguyen tit cua minh la cd
sa giai thich dttoc quang phO vach nguyen tit hydro, Bohr da neu ra tien d6 2
duo% day.
Khi electron chuyen to guy dao xa veto quy dao grin hat nhan ho'n se phdt
ra lu'dng tit nang lacing E dudi clang bac xa dien tit. Ngu'dc lai,,neit electron
nhdn du'dc lityng tic' nang luring E ely thi chuyen tit qujI dao gein ra quj", dao
xa tito'ng zing.
a
Luring tit nang Wong E bang hi6u so nang Wong ciia electron quy dao
a
xa (E.) va quy ciao gan (Eg):
E = E. — Eg (2-12)
Theo thuye't Wong tit Planck, to c6: E = h.v nen:
hv = E. — Eg (2-13)
Thay bi6u thitc nang Wong (2-9) vao (2-13) dttoc:
— 2,t2me4 — 2it2me4
by = (2-14)
h2n2 h2n2

47
 Bien d6i (2-14) dtiOc:
2it2me4 ( 1 1
(2-15)
h3 n2 n„2 )
n
(S-1)

Ta con c6 cac h6 thfic (2-16), (2-17), (2-18) &led day:

v = + (2-16)

T = chu kST = thai gian can thi6t de dao d6ng tii thvc hi6n dtioc 1 dao
d6ng, don vi la s"'.

T
x (2-17)
C

day X (lamda) = btic3c song (d6 dai song) = doan clang lan truy6n trong
1 chu kST, don vi la cm.
C = t6c do anh sang trong than khong = 2,998.1010
1
x (2-18)

v (nuy ngang) = s6 song = nghich dao btioc song, don vi la cm"'

Dtia vao (2-16), (2-17), (2-18) bie-n d6i (2-15) &toe:
2n2me4 1 1
(2-19)
h3C (nn
g „ ) (cm-1)

= 27c2me4
D4t RH (2-20)
h3C
Thay cac gia tri da bie't vao (2-20) thi:
RH = 109761,039 cm"'
lam troll s6 duck:
RH 109761 cm-1 (2-21)
(2-20) la bigu thfic hang s6 Rydberg d6i voi nguyen -al hydro, (2-21) la tri
so hang so Rydberg do'i vdi nguyen tit hydro.
Way (2-19) dtioc vie't nhif sau, khi thay tri so- RH vao:
1 1
v = 109761 . (-2- – (cm-1) (2-22)
ng n,
(2-22) &doe dung de tinh s6 song ciia vach quang ph6 nguyen tii iing voi
hai guy- dao bat kST ng va nx.

48
 Van dung tien de 2 ciia Bohr de giai thich cac day quang ph6 nguyen
tit hydro.
Quang ph6 vach nguyen tit hydro thu diiqc khi kich thich cac nguyen tit
hydro bang clot nong, phong dien qua, ... cac electron se chuyen tit trang thai
cci ban (n =1) len cac quy dao c6 n = 2, 3, 4, 5, ... c6 nang Wong lon hdn, Inc nay
nguyen tit bi kich thich. 6 trang thai kich thich, nguyen tit khong ban, c6 dqi
song trung binh ed 10-8 s. Nghia la cac electron tit mite kich thich chuyen v6
cac quy dao gdn hat nhan hon, phat ra bite xa dien tit, tao ra quang ph6 vach
phat xa nguyen tit hydro. Tdi nay ngttai to da thu elude cac day sau day:
* Day Balmer (Balmer tim ra nam 1885):
Mau do lam tim

Vach 1,„ L„ LY
X, 6559,70A° 4338,43A°
Hinh 2.1. Day Balmer cua quang ph6 phat xa nguyen tit hydro
Day Balmer g6m cac vach Tung voi stt chuyen electron tit cac quy dao c6 n
3 ve ding quy dao n = 2.
S6 song ciia cac bite xa thuec day nay tinh theo tong thitc:
1 (cm-1)
= 109761 (- –
22 n2,
v6i nx = 3, 4, 5, ..., co
Vach La (electron tit n = 3 vd n = 2) c6:
v = 10976 - )
15244,5833 cm-1
2 2

(co X, = 6559,70 x 10-8 cm = 6559,70 A°)

Vach 1...17 (tit n = 5 vd n = 2) co:
1 _1 = 23049,81 cm-1
v = 109761 (— 52
22
(co = 4338,43 x 10-8 cm = 4338,43 A°)
Cac bite xa nay nhin thay dtt6c do mien nhin thay ciia mat ngtidi binh
thltang c6 hitt& song tit 3900 A° toi 7700 A°.

49
 -
-

* Day Paschen (Paschen tim ra nam 1908):

Nhung bite xa tao ra day nay nam trong mien hang ngoai, ling vdi ski
chuyen electron tit cac quy dao xa ve ding guy d46 n = 3. SO song cila cluing
tinh theo cong thitc:
v = 109761 (3 1 ) (em-1)
n2
X

vdi nx = 4, 5, 6, ..., cc
* Day Lyman (Lyman tim ra nam 1916):
Nhiing bite xa tao ra day nay nam trong mien tit ngoai, ling vdi ski
chuyen electron tit cac quy ciao xa vao ding quy dao n = 1. S6 song cila cluing
tinh theo cong thitc:
11 1 (cm-1)
v = 109761 (— –
2 n2x
vdi nx = 2, 3, 4, ..., co
Khi nx = 00 iing vdi ski chuyen electron tit guy dao xa nhgt vao quy dao
n = 1, bile xa electron nay c6 s6 song la 109761 em 1, c6 nang Wong la E = E. -
E1 =hxcx v = 21,80045 x 10 12 erg = 13,60 eV. Gia tri 13,60 eV chinh la nang
Wong lien ket eila electron i3 trang thai cd ban. trang thai cd ban ma
electron nh4n elude 13,60 eV se tach kh6i nguyen tit hydro. Do do 13,60 eV la
nang Wong ion hod this 1 cila nguyen tit hydro.
* Day Brackett (Brackett tim ra nam 1922):
Nhung bite xa tao ra day nay nam trong mien hang ngoai xa, iing vdi ski
chuyen electron tit cac quy dao xa vao ding quy dao n = 4. S6 song cua cluing
tinh theo cong thitc:
v = 109761 1 1 (cm-1)
n2x
vdi nx = 5, 6, 7, ..., 00
* Day Pfund (Pfund tim ra nam 1924):
Nhiing bile xa tao ra day nay nam trong mien hang ngoai xa, itng vdi ski
chuyen electron tit cac guy- dao xa vao cong quy dao n = 5. S6 song cua cluing
tinh theo cong thitc:
1\
v = 109761 1– (cm-1)
nx2
vdi nx = 6, 7, 8, ..., CO
Ngliai to con goi guy dao this 1, 2, 3, 4, 5... la quy dao L, M, N, 0, P... va
goi day quang pile; theo ten quy ciao ma cac electron ding chuyen ve qug dao

50
ay de tao ra day. Do d6 cac day Lyman, Balmer, Paschen, Brackett, Pfund con
dtioc goi tiling itng la day L, M, N, 0, P.
MA.0 Bohr tiep tuc phat trieln. Nam 1916, Sommerfeld cho rang ngoai cac
quy dao trOn cila Bohr, trong nguyen tit hydro con co cac qui ciao elip. se; Wong
tii chInh n c6 gia tri bao nhieu thi c6 bay nhieu qui dao (trong d6 c6 1 qui dao troll
con lai la elip). Cac qui dao nay c6 ding tri. seinang Wong E n. De d4c truing cho cac
qui dao khac nhau, nhting c6 cling so Wong tit chInh n, ngtiai ta be; sung them s6
Wong tit C goi la s6 Wong tit phu, C co cac gia tri 0, 1, 2, ..., (n - 1).
Thl du: n = 3 c6 3 qui dao electron, c6 cac gia tri C la 0, 1, 2. Ca 3 qui dao
—13,6
c6 ding gia tri nang Wong la E 3 eV.
9
Do xuat hien s6 Wong tit phu t nen s6 Wong tit chInh n trout day cho biet
qui dao this may thi nay cho biet lop qui dao this may.
Tiep theo, nguai ta thay ling voi mot gia tri xac dinh so luring tit phu t, c6
the c6 (2C + 1) phuong trong khong gian cua cac qui dao electron. De dac
truing cho cac phtiong khac nhau ngliai ta b8 sung s6 Wong tit m goi la so
Wong tii tit. m c6 cac gia tri 0, ±1, ±C. Thl du t = 2 thi m = - 2, - 1, 0, +1, +2.
Do xuat hien s6 Wong tit tit m nen s6 Wong tit phu t cho biet phan lop qui dao.
Khi C = 0, 1, 2; 3, 4 ngthi ta goi la phan lop qui ciao s, p, d, f hiring ling.
Cu6i ding, nam 1925, hai nha vat 11 Ha Lan Uhlenbeck va Goudsmidt da
136 sung s6 Wong tit s goi la s6 Wong tit spin. S6 Wong tit spin dac truing chb
chuyen Ong rieng (tu quay) dia electron. S6 Wong tit spin chi c6 hai gia tri la
1 . Chung cling khac nhau 1 don vi nhu cac s6 luting tit n, C,
— va
+2 2
BO 4 s6 Wong tit nhu the la dieu kien can va du de xac dinh day di sii
chuyen &Ong clia electron. Do electron c6 4 d8 tit do, 3 dO roi ch8 trong kh6ng
gian ling vdi 3 truc toa do va 1 d8 niia la sit ttt quay clia no. M8i to hop xac
dinh 4 so Wong tii n, C, m u, ms dac truing cho mot qui dao xac dinh dm electron
trong nguyen tit hydro. Mau Bohr nhu vay con goi la mdu Bohr - Sommerfeld.
Nha van dung thuyet Wong tit nang Wong, mdu Bohr da giai thIch dtioc
thiic t6 quang pho phat xa nguyen tit Hydro va xi* vai ion c6 1 electron giong
Hydro. Tuy nhien, mail Bohr con nhieu sai 16,m nen no khong giai thIch cltioc
quang ph8 cua cac nguyen to khac, tham chi la ci6i vdi Heli Co call tao chi phifc
tap hon Hydro mot chtit.
D'au vay, trong bite tranh ve nguyen 61, md.0 Bohr da clung gop to 16n,
nhit chung ta se khOng thay trong mo hinh hien dai, la ton tai clict cac mac
nang lu'dng rieng biet.
1.3. Mau nguyen tit theo cc] hoc Hiring tit
Co hoc Wong tit la gi?

51
 Vat 11 hoc da phat hien duoc hai clang cita vat chat la hat va song (con goi
la dang chat va dang tniang). Trong Lich sit phat trien cua minh, mot thai gian
dai, Vat li hoc co dien quan niem hai clang hat va song tach rai nhau, d6i lap
nhau. Chang han hat c6 the sinh ra va cham nlittng khong dan den hien ttiOng
nhi6u xa va giao thoa dac trttng cho song. COn song c6 the sinh ra hien tuong
nhi6u xa va giao thoa nhung khong the sinh ra .hien Wong va cham dac trUng
cho hat. Sau d6, Cd hoc Wong tii quan niem hai dang hat va song la thong
nhat trong moi chuy6n &Ong cua moi hat vat chat (vi mo cang nhu vi mo). Nha
c6 quan niem moi ve ban chat hong tinh song - hat caa vat chat ma Cd hoc
Wong tii vita giai thich duoc tinh chat hat vifa giai thich duoc tinh chat song
trong chuyen &Ong cua moi hat. Do giai thich duoc tinh chat song nen Co hoc
Wong tit con duoc goi là Co hoc song.
Co hoc Wong tit ra dai vao nhang thap ky ddu cua the V XX. N6 dua
tren hai cd sa:
+ Cd hoc va dien Ong hoc co di6n.
+ Co sa toan hoc g6m dai s6 cac toan tii tuyen tinh trong kh6ng gian
Hilbert va bieu di6n nhom.
Cd hoc Wong tit la mon vat 11.1S7 thuy6t. N6 g6m mot s6 tien de co sa. Tit
nhiing tien de nay, bang con &tang suy dien toan hoc ma nguai to thu dttOc cac
ke't luan. Cac ke't luan ay &toe kiem cluing qua thuc tien. Dttdi ddy la mot s6
tien de cila co hoc Wong tii trinh bay cJ dang don gian, de hidu.
1.3.1. Song vat chat De Broglie
Ban chat Wang tinh song - hat cita vat chat dttoc khang dinh ddu tien doi
v6i anh sang. Di toi khang dinh nay la mot qua trinh tranh luan lau dai Oita
cac nha khoa hoc.
• Nam 1690, nha vat 11 Ha Lan, Huygens da ding be:co:51-1g trinh "Khao luan
v6 anh sang". D6 la thuy6t ddu tien v6 anh sang. Trong thuy6t nay, Ong cho
rang anh sang c6 ban chat song. Anh sang la xung dan h6i lan truy6n trong
moi truang dac biet goi la "ete". Ete lap ddy toanbO khong gian va than). duoc
vao cac chat. Nhu vay song anh sang trong ete duoc hinh dung flint song am
trong khong khi. Vai nam sau d6, nha vat 11 vi dai Anh, Newton lai data ra
thuyel hat v6 anh sang. Trong thuy6t nay, Ong coi anh sang g6m nfrang hat
vat chat phat ra tit ngu6n sang, chuyen dOng thang trong moi trttang d6rig
nhat va tuan theo cac dinh luat ciia co hoc c6 di6n. Ca mot thai gian dai, hai
thuy6t doi lap nhau v6 anh sang van ton tai.
Ddu th6 ki XIX, nha vat li Phap, Fresnel dVa vao thuy6t song anh sang
ciia Huygens giai thich thanh ding hien Wong giao thoa cua anh sang (do
Young phat hien nam 1802) va hien Wong nhieu xa cua anh sang.
Nam 1865, nha vat 11 Scotlen, Maxwell da chling minh rang cac tritang
dien tii bien thien lan truy6n trong khong gian voi van t6c cua anh sang. Nhu

52
vay anh sang la song dien tit lan truygn trong khong gian. Thuye't song anh
sang dticic ding c6 vting yang them. Nhting thuye't song anh sang khong giai
thich duoc hieu ling quang dien caa anh sang (do nha vat 11 Dile, Hess phat
hien ra nam 1887).
Nam 1900, Planck neu ra anh sang g6m nhi-ing Wong tit nang Wong E, ma
E = h . v.
Nam 1903, nha vat 11 My g6c Disc, Einstein da neu ra dinh lust ve sv lien
quan vdi nhau giita kh6i Wong va nang Wong cila met vat the bat ki. Dinh
lust nay duoc bieu din bang phuong trinh:
E = m . C2 (2-23)
6 day E = nang Wong clia vat the
m = khoi Wong chuyen Ong caa vat the (khoi Wong Wong del tinh)
C = t6c de cila anti sang trong chan khong
Phuong trinh (2-23) et-mg cho thay sit lien quan vdi nhau gifia nhi-ing
thay d6i ve nang hiong AE va ve kh6i Wong Am trong qua trinh bat ki. Do do
(2-23) con duoc viet duoi
AE = Am . C2 (2-24)
Pinking trinh (2-23) va (2-24) con goi la he thlic Wong d6i Einstein.
, Quan he gifia bli6c song va khoi Wong cila hat photon (hat anh sang) c6
the duoc xac Binh de clang tit tong thlic Planck (2-1) va tong thfic Einstein
(2-23). Theo (2-1) ta c6:
c
E =h.v = h —

Ket hop vdi (2-23) ta c6: m . C2 = h

Suy ra (2-25)
m .0
a day = buoc song anh sang
h = hang s6 Planck
m = kh6i Wong Wong d6i tinh cua anh sang
C = t6c do lan truy6n cua anh sang trong chan khong
Nhtt vay anh sang vita the hien duoc ban chat song qua bileic song 2 vita
the hien duoc ban chat hat qua khoi luong m.
Nam 1903, vdi thuyet Wong del cua minh, Einstein da chling minh rang
khoi Wong Wong del tinh m cua vat the vuot khoi Wong tinh m o cila no tuan
theo phuong trinh:

53
 m mo (2-26)
V2
1
C2
6 day m = kh6i Wong -Wong d6i tinh cfra vat the
mo = kh6i luong tinh cua vat the
V = to-c dc) chuyen dung dm vat the
C = Vic die) anh sang trong than khong
Theo (2-26) ta thay mo cUa photon = 0. Dieu nay c6 nghia khong c6 anh
sang tinh (dung im).
Tren cd sad tinh chat hat cira anh sang, nam 1905, Einstein da giai thich
thanh tong hieu ling quang dien cfra anh sang. Ve sau, cling dua tren tinh
chat hat nay nguai ta giai thich duoc hieu ling Compton cira anh sang (do nha
vat li My, Compton phat hien ra nam 1923): Tinh chat hat ciia anh sang con
the hien CI ch8 anh sang cling gay ra dp suat.
NhU vay anh sang vita c6 ban chat hat visa c6 ban chat song. Hai ban
chat nay la thong nhat, la chuyen hod qua lai.
Nam 1923, nha vat li Phap, Louis de Broglie (1892 - 1987) da and rung
quan niem ban chat hang tinh song - hat dia anh sang cho moi hat vat chat
khac. Ong da data ra thuyet song vat chat va he thfic co ban dm no, lam nen
m6ng cho su ra dai cira co hoc Wong tit. NOi dung dia thuyet nay: sit chuyin
ring eUct moi vat the' có khoi lu'o'n,g tu'o'ng dui tinh m va tot c1.6 V deu lien /zest
vdi mot song cc-) bu'de song chive xcie Binh theo he thae:

X (2-27)
mV
0 day h = hang s6 Planck
Voi nhfing hat vi mo khi V << C thi theo (2-26) c6 m = mo. Thi du mot
vien dan 100g bay vai to-c do 6 km.s-1 duoc coi m = mo. Theo (2-27), vien dan c6
song lien ket voi but6c song:
6,626 . 10-27 erg.s
= 1,104.10-34 cm
100 g . 600000 cm.s'
Do buoc song qua nha nen tinh chat song trong tri.thng hop nay khong co
nghia, khong quan sat duoc, not khac di la khong the hien tinh chat song.
Vdi nhfing hat vi mo nhU electron chan.g han, c6 kh6i luong 9,109. 10.28
g, chuyen dung vai to-c d0 2200 km.s-1 se co song lien ket vesi bu6c song:

54
 6,626 .10-27 ergs
= = 3,306.10 -8 cm = 3,306 A°
(9,109 x 10- 28 g) . (220000000 cm.s-1 )
Do Jou& song lon nen electron thg hign duoc tinh chat song trong chuygn
d6ng.
Nam 1927, dg kigm chiing tinh chat song dia sit chuygn dOng cila hat
electron, Davisson va Germen da cho mot chum electron phat ra tit am cuc (tia
am clIc) qua tinh the Nickel va quan sat thay c6 hi8n Wong nhigu xa electron
ttiong to nhtt hi8n Wong nhigu xa gay ra bai anh sang. Kgt qua thuc nghigm
cho phep tinh dttoc buoc song X, kgt qua phii hop IRK 1ST thuygt (2-27).
, Mitt vay thi nghigm Davisson va Germer da chfing minh tinh dung
dan cua song vat chat De Broglie. Ngay nay tinh chat song cila electron da
dtioc ling dung Ong rai, thi du trong kinh hign vi electron.
Theo h8 fir& De Broglie (2-27), tien d8 1 ciia Bohr trot thanh tat nhien.
TInfc vay, electron chuy'en d6ng tren guy dao Bohr chi kh6ng phat ra nang
Wong khi tao thanh song dUng, nghia la chu vi guy dao phai la s6 nguyen lAn
buck song:
2icr =
Thay X bang (2-27), ta c6:
h
2nr = n h = mVr = n—
mV 2,t
Ta lad thay digu ki8n lucing tit ciia Bohr theo (2-2).

1.3.2. Nguyen Ur bat dinh Heisenberg

Trong thg gioi vi mo, mot hat chuygn do, ng Ian duOc dinh vi trong moi
trUang hop; nguoc lai, mot song duoc trai r6ng khAp kh6ng gian. Ngu mot
electron c6 ca tinh chat hat- va song thi lam the nao chUng ta c6 th4 xac dinh
chicle vi tri dia no trong nguyen tit?
Nam 1927, nha vat 1.ST ngttai Disc Werner Heisenberg cid tim ra nguy8n 1ST
bat dinh tren co sa cac ma tram toa d6 va ma tran van t6c khAng dinh rang:
khong the' xac dinh chinh xac &rig theft ca vi tri vet vein tek cact mot hat.
Nguyen 1ST bat dinh bigu thi cludi clang toan hoc cho mot hat chuygn d6ng theo
phuong x nhu sau:
h h
Ax.mAvx Ax.Av .>_. (7-28)
47-c X 4Tum
6 day, Ax - d6 bat dinh ve vi tri; AVx - d() bat dinh ve van t6c; m - kho'i
Wong hat; h - hAng s6 Planck; va It = 3,1416. Co th4 vigt cac h8 thlic tticing tit
(7-28) cho cac toa d6 y va. z.

55
 Theo he thiic nay ta thay do toa dQ (vi tri) ciia hat cang chinh xac bao
nhieu thi do van t6c cua no cang kern chi/1h xac bay nhieu, va ngtioc lai. Tuy
nhien, doi vdi hat có kheci hfOng lon (hat bui, hon bi, qua bong...) thi do bat
dinh Ax va AVx vo cling nhO, co the bO qua.
Vi du: qua bong khol Wong 0,200 kg chuyen Ong WA t6c do 50 ± 1% m/s.
Vay xac dinh vi tri cUa no có chinh xac khong?
Giai
Theo (7-28), vdi AV„ = 50 m/s . 0,01 = 0,50 m/s, thi:
6,626.10-3' kg.m 2 /s
Ax > 5,27 . 10' m
(4 .3,1416). 0,200 kg . 0,50 m/s
Vay, d6i vdi qua bong ta có the do van t6c va vi tri vdi mile 4 chinh xac
tuy y.
Trai lai, tim vi tri va van t6c cua mot electron, tit do xac dinh &tang di
cila no lai la mot van de hoan toan khac.
Vi du: mot electron chuyen Ong gdn hat nhan có van tgc 6.106 ± 1% m/s.
Xac dinh do bat dinh ve vi tri cua no?
Giai
DQ bat dinh ye van tgc: AVx = 6.106 m/s x 0,01 = 6.104 m/s. Theo (7-28),
thu duck:
6,626.10'4 kg.m2 /s
Ax > 10-9 m
(4 . 3,1416) . (9,1096.10-3' kg) . (6.104 m/s)
Vay, dQ bat dinh ve vi tri dm electron lon hon khoang 10 Fan so vdi
duang kinh toan bQ nguyen tit (10-1° m). Dieu nay có nghia la cluing ta khong
the bigt chinh xac vi tri cua electron trong nguyen tii. Noi cach khac, chuyen
cking ceict electron trong nguyen tet khong có quj, ciao (orbit). Dieu do hoan toan
phii hop vdi ban chat song da the hien ro rang a electron.
He thiic bat dinh (7-28) la mot trong nhang he thiic co ban nhat cUa cd
hoc Wong tit, la he qua quan trong nhat cua Iy thuygt De Broglie ve tInh chat
song cUa hat vi mo. He thiic nay diia ra tieu chu'an de danh gia cac d4c trying
cila hat vi mo: bigt dO bat dinh AVx ta tinh dtioc dO bat dinh vg toa dO Ax, theo
do bigt diioc yang khong gian ma trong do hat c6 the CO mat. Ngtioc lai, bigt
Ax, ngitai ta suy ra dQ bat dinh ve van t6c AV,, tit do có the xac dinh gAn citing
ca van t6c, nang Wong, diing hiong va khgi Wong dm hat vi mo. Nhd tinh
thong ke vay, cot hoc Wong tit tinh duoc xac sugt mot dai Wong vat 1S7
nhan mot tri so nao do.
Chti ST rang, hang so" Planck (h) trong he thiic bat dinh có mot y nghia co
ban, no phan ranh gioi gifia the gioi vi mo va the gioi vi mo, giiia vat ly co dien
va vat ly Wong tii. Khi có the xem h = 0, 11w do cac quy luat cUa co hoc Wong

56
 ▪ ▪

tii trung vdi cac quy lust cua cd hoc co dien. Con cac hien Wong khong the be
qua tri so ciia hang se h thi clang khong tuan theo nirCing quy lust efia vat 1S7
co then nua.

1.3.3. Phu'o'ng trinh Schrodinger

Thuyet song vat chat L. de Broglie va nguyen 1S7 bat dinh Heisenberg la
nhiing khai niem ma dau cho cd hoc Wong tit.
Nam 1926, Erwin Schrodinger (nha vat 1S7nguei Ao, 1887 - 1961) eta tim
ra pinking trinh cd ban me to eau true liking tit cUa he vi mo.
Trong ce hoc lueng tit, cac dinh lust v6 st/ chuyen deng cua cac hat vi mo
dttec mo to bang pinking trinh Schrodinger, giovng nllif trong cd hoc co dien, sit
chuyen deng cUa cac hat vi mo &tee mo to bang cac dinh lust Newton. Clang
nhu cac dinh 1114 Newton, phiking trinh Schrodinger khong the suy ra dtkic tit
nhang gia dinh tang quat hen ncia ma no &tee rut ra tit sit Wong tu gifia cac
phtieng trinh cua cd hoc va quang hoc. Pinking trinh Schrodinger &tee thita
nhan la met tien de, met nguyen1S7cUalS7thuyet mei.
Trong nhang bai toan gap trong thuy6t nguyen tit - phan tit, tracing hop
doi vdi met hat a nhung trang thcii ditng (nang Wong toan phan khong thay
doi theo thih gian), phudng trinh Schrodinger c6 the dude vie-t nhu sau:
h2 a2,1, a 2 v,
thlf = Ey (2-29)
87c2m( axe ay2 az2
6 day h = hang s6 Planck
m = khoi Wong cila hat
U = the nang cila hat
E = nang lacing toan phAn cila hat
x, y, z =-cac toa d5
w = ham song (doe là psi hay si)
a2 a
2 a2
D4t: V 2 = axe (2-30)
ay2 az2
V2: toan tit Laplace (doe la nabla binh pinking)
h2 (2-31)
Bat: = , V2 +U
8
H : toan tit Hamilton (doe la hat mu), toan tit nang llang
Thay toan di Laplace va Hamilton \Tao (2-29) dliec pinking trinh Schrodinger
rut gon:
Hyr = Ey (2-32)

57
 Phuong trinh Schrodinger la pluiong trinh vi phan (chiia dao ham rieng
phan), cap 2 (dao ham cao nhat la cap 2), thuan (ve' phai cua pinking trinh
bang 0 sau khi da chuygn moi so hang chita bign s6 w va nhcing dao ham ciia
sang trai) va tuye'n tinh (cac dao ham theo m6i Men so ddu ding ix* bac).
Loai phtiong trinh nay co vo so- nghi8m. Neu yrl, W2, Wn la nhfing nghi8m d6c
lap thi to hop tuygn tinh cua cluing ding la nghi8m cua phitong trinh. Dac
tinh nay dan tdi mot nguyen 1ST goi la nguyen 1ST ch6ng chat trang thai: rigu
mot he c6 th'87:1 nhung trang thai duoc mo to bang nhang ham song thi 118
dO cling c6 th8 a trang thai duoc mo to bang ham song W la to hop tuye'n tinh
cac ham yr;:

= ECiWi (2-33)

Ci la nhiing h8 so thuc hoac phitc tuST y.

Pinking trinh Schrodinger la tong cu toan hoc &toe sit dung dd giai quygt
cac bai than cu thd trong thuydt nguyen tit - phan tit theo cd hoc Wong tit. Vic
giai quyet cac bai toan chinh la vi8c tim ra cac ham trang thcii tit va cac ruing
luring E tuvng zing caa
1.3.4. Ham song yr
— M6i trang thai cua mot hat hay mot h8 hat vi mo cluoc dac tiling bang
mot ham xac Binh goi la ham song hay ham trang thai dO la nghi8m
cua phuong trinh Schrodinger.
Vdi nhang he d trang thai &Ling, ham trang thai w la mot ham caa toa d6
Descartes tv(x, y, z) hay toa d6 cau kv(r, 0, cp). Quan 118 gifta hai toa d nay la:
x = r sin0 cow
y = r sin() sing)
z = r cos°

Hinh 2.2. He cu'c cac toa dO Descartes va cgu

58
 * )"( nghia vat 11 cUa ham trang thai y:
He ham v mang mot y nghia vat 11, nem 1926, Max Born cho rang binh
phttong modun cila ham song Itv12 = tv.tv* (nen NJ la mot ham phitc thi y* la
mot ham ph& lien hop cila w) ti le vol xac sue t tim thdy hat tai diem dang xet.
Ltic nay 1w 2 dV ti le vdi xdc suet tim thdy hat trong the tich dV tai toe do dang
xet. Nen nhan ham y vdi mot h8 s6 N sao cho N2y2dV bang xac suet tim they
hat trong the tich dV thi xac suet tim they hat trong toan 130 kh6ng gian se
bang 1, do hic nay sit tim they hat tra thanh mot bign c6chac chan, co nghia:
11\12tv2dV = 1 (2-34)

III (2-34) suy ra: N 1 (2-35)

tv2dV

Bieu thi c (2-34) la digu ,ki8n chuan hod ham trang thai y. Ham y thoa
man (2-35) goi la ham da chuan hod. 1-1"e' so N goi la 118 so chudn hod.
Ngoai ra ham y con phai la ham don tri, hUu han va lien tuc.

1.3.5. Yng dung phzio'ng trinh Schrodinger cho nguyen tie hydro
Bai town vg electron trong nguyen tit hydro la bai than don gian nhat,
citing thai cling la bai toan cd ban nhat cila co hoc luong tit. Nhang kgt qua thu
duoc trong bai toan nay la co sa cua mot h8 thong 11 thuygt vg cgu tao nguyen
tit theo cd hoc Wong tit. CO the not bai town nay la mo hinh cho cac bai town dgi
vdi cdc h8 philc tap hon.
Tuy la don gian nhat nhung van rat phlic tap vg toan hoc. Phuong trinh
song Schrodinger, hy = EyJ , la trung tam cila sit mo ta nguy8n tit theo co
hoc Wong tit. Phuong trinh nay dOi hOi khi ham y dttoc xit 1ST bai town tit H thi
cho kgt qua la ham y nhan vdi mot hang so E (la nang Wong toan phan cua
mot trang thdi rieng duoc mo ta bai w). Nhtt da neu tren, pinking trinh
Schrodinger có nhigu nghiem cho mot 118 da bigt. Vi du dgi vdi nguyen tit
hydro, có nhigu ham thoa man phuong trinh Schrodinger, moi ham Wong ling
vdi mot gia tri nang Wong rieng (tri rieng) cUa nguyen tit hydro. M6i mot ham
song rieng nay ciia nguyen tit hydro goi la mot orbital ma ta se de cap chi tigt
hdn phia sau.
Trade khi neu ra huong giai va mot so nghi8m cu the cila phuong trinh
Schrodinger cho nguyen tit hydro, cluing ta xem xet each sit dung phuong
trinh nay de mo ta mot h8 gia thigt rat don gian thuang goi la "hat trong hop".
M6 hinh hat trong hOp dtta ra tinh hugng mot hat duoc nhgt trong mot
hOp mot chigu có bo cao vo han. Day khong phai la mo hinh chinh xac cho
nguyen tit hydro. Nghia la, nguyen tit hydro kh6ng gigng nhti hat trong

59
hOp. 1.47 do de xii lY hat trong hop la: 1/ no mo ta toan hoc ciia c0 hoc song;
2/ no chi ra nhiing dac trong cua cac ham song; 3/ no cho bie't sti ltiOng tii
hoa nang Wong bAt nguem nhti the nao. Vi nhfing 15r do ay, cach xii VT hat
trong hOp la minh boa gAn gui cho ski mo to theo cci hoc Miring tii doi vdi
nguyen tii hydro.
Xet mot hat có khoi IUgng m chuygn
d6ng ft/ do ra phia tru'oc va phia sau doc theo Nang
mot truc (gia dinh la truc x) giCta cac gia tri x = lucrng
0 va x = L (nghia la chung ta xet h6p mot U(X) = co U(X) = 0 U(X) = co
chi6u co kich thi.t6c L met). Gia thigt thg nang
U(x) cua hat bang 0 doc theo daring di, frit
cac digm kat thiic x = 0 va x = L, tai do U(x)
vo ding Ion. Thu'c ta, vi hang rao lut dgy Ion x=0 x=L
vo ding a cac digm kgt thCic dia h6p nen, hat Hinh 2.3. Ma hinh hat trong h6p mot chi6u
bi buOc trong h6p voi bac Wong kh6ng thd veil cac bac taring thg nang Ion vo ding
vu'ot qua (Hinh 2.3).

Nhu' da bigt, phuong trinh Schrodinger chita toan tit nang lacing Trong tru'Ong hop
nay, thg nang bang 0 trong pham vi h6p, nang long a day chi la d6ng nang cOa hat di
h 22
chuygn toi va lui doc theo truc x. Toan tit cho d6ng nang nay la ,trong do h = — ,
2m dx` 2n-
d2
h la hang s6 Planck, m la kh6i lu'ong ciia hat, va la dao ham bac 2 theo x (dang ceia
dx`
toan tit nay bat ngu6n tit cach m6 6 song theo vat ljr c6 dign). Thay toan tit ay vao phuong
trinh Schrodinger H y = Ey, ta co:

h2 d2 w
- Ey (1)
2m dx 2
a day y la ham cua x [(y(x))]. Sap xgp lai phuong trinh, du'oc:
d2 y 2mE
(2)
dx 2 h2
Muc dich cua ta la phai tim cac ham rieng Ni(x) thoa man phu'cing trinh. Chu y rang
nghigm cua phuong trinh nay la nhCtng ham nhu' d2y/dx2 = (hang s6) x yr, nghia la mot ham
ma dao ham bac 2 cila no có ding dang vOi ham g6c ban Tau. Ham có tinh chat thg nay la
ham sin. VI du, xet ham Asin(kx), khi A va k la hang s6. Lay dao ham bac 2 theo x,

d2 (A. sinkx)_ A d r d sinkx d "dcoskx"

= A (k.coskx) = Ak
dx 2 - dx dx j dx dx
= Ak(-ksinkx) = - Ak 2 sinkx = - k 2 A sinkx
d2 (A. sinkx)
v•ay to có: = - k2 Asinkx (3)
dx2

60
 Day la clang ham thoa man phu'ong trinh Schrodinger cho hat trong hQp. Khi so sanh
Bang tang quit cua phu'ong trinh Schrodinger (2) voi (3) ta they:

2mE
= (4)
h2
Sap xgp lai bigu thik (4) ta có bigu th(tc cua nang luting:

h2 k2
E - (5)
2m
Bigu thtk nay có jr nghia gi? thong ta de' gia thigt don gran A va k la hang so. Vay cac hang
so do 95 thg nhan nhitng gia tri nao? Chu 9 rang ngu A, k có bgt k9 gia tri nao thi bigu thUc (5) clan
den vo han cac gia tri nang luting có thg có - nghia la có sit phan bo lien tuc cua cac mile nang
ktong. Tuy nhien, digu nay kh6ng dung vi nhitng 19 do cludc thao luan dudi clay. Chung ta se thgy:
chi có mat so gia tri nang lu'ong cho phep, nghia la he du'oc luting tit hoa (thut ra, co hoc song
trudc clay có kha nang giai thich du'oc ban chat ciia sit luting tit hoe nang luting ma luc dau ngu'di
ta kh6ng nghi tOi do tech rdi hat va song).
Si! luting tit hoe xuAt hien khi m6 ta hat trong hop theo co hoc song nho nhitng digu kien
Hen. Bai vi thong ta phai mo to sao cho he tit nhien coy nghia vat 19 (giang nhu khi mo to dung
dich nu'Oc chaa mat acid gap bigu thitc toan [H3012 = 9,0 x 10-6 M2, du'oc nghiem la [F130+] = 3,0 x
10-3 M va [H301] = -3,0 x 10-3 M, ta tU dang loai IDO nghiem thit hai, vi nong do am khong có
nghia vat 19. 6 clay ta se ap dung digu kien ben kigu nay cho tinh huang dang xet).
Digu kien Nen cho hat trong hop có nhiing dac digm sau:
1) Hat khong thg ngobi hOp - hat bi buQc trong hop.
2) Trong mot trang thai cho truck, tong xac suet tim thgy hat trong hop phai bang 1.
3) Ham song phai lien tuc (CO gia tri ii moi digm xet).

Nhu cla they a tren, ham W = A.sin(kx) thoa man phudng trinh H W = Ey. Bay gid thong
ta xac Binh hang s6 k, A dg phu'ong trinh nay thoa man cac digu kien Nen kg tren. Vi hat phai
trong hop va vi ham song phai lien tuc, nen gia tri cua y(x) phai bang 0 tai moi bac tu'ong,
nghia la y(0) = 0 va w(L) = 0. Lu'u jr la ham sin bang 0 a cac gia tri goc 0°; 180° (T); 360° (2n)
va v.v... Vi vay ham A.sin(kx) = 0 khi x = 0.
Yeu cat., ham song phai bang 0 tai ma) bac tudng có thg bigu thi nhu sau: y(L) =
A.sin(kL) = 0, nghia la k chi có mot s6 gia tri han chg, cu thg la k = n:rE/L vdi n la nhitng so
nguyen (1, 2, 3...), nghia la:
rut
W ax) = A.sin( x), va do do:

kv (L) = A.sin(—L) = A.sin(n7c) = 0

Dd gen mot gia tri cho hang so A, ta can trfdn khai mot khai niem moi. Khi Ong dung co
hoc song dg mo ta vat chat cac nha khoa hoc (la kat hop binh phudng dm ham song veil xac
suet. Vdi m6 hinh hat trong hap dang xet thi binh phudng gia hi ham song a mot digm cho
trudc [41(2,0 ] cho ta bit xac suet tim thgy hat tai diem do, va xac suit tim thgy hat ten mot

doan truc x có chigu dai dx xung quanh digm x la kit(x) dx. Bai vi chi có 1 hat trong hQp nen

61
t6ng xac suit doc theo truc x tit x = 0 dgn x = L phi bAng 1, nghia la hat phidu'oc tim thgy
trong hQp (di6u kign bien de' neu tren). T6ng tat ca cac gia tri xac suit riay theo chigu dai cOa

hQp (tit 0 —> L) bgng t6ng xac suit tim thy hat trong hop là: JW(x)dx = 1. Thay ty(x) =
A.sin[(nic/L)x], to có:
L L

(
fl1J x
d
)X JA2 sin2 (—
ITTE x)dx = 1 (6)
0 0

L
2 nit 1
( x)dx = (7)
J
A2

Chu y la gia tri cua tich phan (7) cOng bhng L/2, nghia la: L/2 = 1/A2, va A = -\/
2/L
Vol cac gia tri coa k va A nhu'tren, ham song coa hat trong hQp du'oc vigt:

Al2 nit
W(x) = L .sin( L x)

Thay k vao bigu thac nang lacing (5), du'dc:

h2k 2 h2 (nit/L)2
E =
2m 2m
2, 2
nn
Thay h = h/2it , co: E = vcti n = 1, 2, 3, 4...
8mL2
Cach ph8n tich nay du'a dgn mot lost nghigm ceia phudng trinh Schrodinger, trong do m6i
ham song kiting (mg vdi mot trong thai nang lu'dng neng:

Bang 2.1. Mdt so ham song va nang lu'ong tong (mg coa hat trong hOp mot chi6u

n Ham Nang lacing

.n.
h2
1 y , = ii-
n2 si x E1 =
L L , 8mL2

4h2 h2
2 kv2 = ?sin(-
271 X) E2 = =

9h2
3 W3, = 1I-
2 si (2
n 3 -c : E3
L 8mL2

2 16h2 2h2
4 W4 = Al- sin E4 = =
L \ LI
/4 8mL2 M1,2
•
•
• I i
•
• •

62
 Nhu' vay, viec ang dung di6u kien !Dien dan d6n mot loat cac mut Wang lu'ong du'Oc
luting tut hoa. Nghia la, chi có mot s6 mac nang luting cho phep dal vdi hat bi buOc trong hop.
Ket qua nay rat phi hop vdi thctc nghiem (chang han vdi phi phat xa cua nguyen tit hydro)
va la tut nhien kh6ng cho phep cac m(tc nang luting lien tuc cho nhang he du'oc buOc CO
dinh, nhu' vat ly c6 dien da titng chi ra. Chu y rang nang luting du'oc luting tit hoa vi di6u
kien bien da gan cho n chi nhan nhiing gia tri nguyen. Vi vay, chung ta goi n la s6 luting tit
cila he.
Chung ta có the lap so d6 cac nghiem dia bai toan hat trong hop bang cach ye ham
song tutting ang vdi moi trang thai nang luting. Mite nang luting, ham song, su' phan b6 xac
suat du'oc trinh bay a Hinh 2.4 cho 3 mac dau tien.
Chu y rang moi ham song tien tali 0 d ria h6p, nhu' yeu cau dat ra 6 di6u kien bien. Noi
cach khac, song ditng dac tru'ng cho hat phai có mot s6 nguyen Ian nU'a !Dirac song tu'dng
du'dng chinh xac vdi kich thu'dc cua hOp. Nhi.tng bu'dc song vdi chi6u dai bat kj/ se khOng ton
tai vi kh6ng thoa man dieu kien vita neu.
Cung Wan Hinh 2.4 cho thgy, scr phan b6 xac suat tim thay hat la khac nhau clang kg
giita 3 mutt nang luting. Vali n = 1 (mac Wang luting thap nhat hay trang thai ca ban) hat hau
nhu' du'oc tim thay a trung tam dia hOp. Ngu'oc lai, vdi n = 2 hat di xac suat tim thay bang 0 6
trung tam h6p. Diem 0 goi la diem nut. S6 diem nut tang ding vdi sit tang n.

10

9 1-
A A'

6
1
5 L

0
0 0
(a) (b)

Hinh 2.4. a) Ba mac Wang luting dau tien doi vdi hat trong hOp
mot chi6u theo sit gia tang dia h2/(8mL2).
b) Cac ham song dia 3 mac dau tien clu'oc ye cho moi ham cUa x
vdi cac gia trI cut dai la cho moi tru'ang hop.
c) Binh pthrong cac ham song dia 3 mut Tau tien &roc ve cho moi
ham cua x vdi gia tri cut dai la 2/L cho moi truting hop.
M6t diem rat quan trong nEta dia hat trong hOp la hat khong the cc') nang luting bang 0.
Bali vi, n6u n = 1 thi mro = 0 6 moi diem trong hOp (vi sin0 = 0). Dieu nay ding có nghia la
r
w o = u , dan den k6t luan khong tim thay hat trong hOp, mau thdan vdi di6u kien bien (hat

63
bu6c phi trong Nip). Dac didm có nang lu'ong khac 0 d trang trial cd bAn la didm dac trung
cho tat ca cac hat có Wang lu'ong du'oc luring tit hoa. Ngu hat trong h6p có gia tri nang luting
bang 0 có nghia la hat clang yen (vi Ong nang b5ng 0). Digu nay vi pham nguyen ljt bat dinh
Heisenberg, bdi vi chimg ta d6ng thdi bigt chit-1h xac van t6c (b5ng 0) va vi tri cila hat (clang
yen). Nhu vay, tat c.5 cac hat luting to phi có mot Wang luting toi thidu, thu'ang goi la nang
luting digm 0.
KhOng gi6ng nhu hat trong h6p mot chi6u, electron dm nguyen tit hydro di chuydn
trong kh6ng gian 3 chi6u va có the nang, bdi vi no bi hap an bdi hat nhan mang dien tich
during d trung tam nguyen tit. Su khac nhau nay the hien trong deo ham bac 2 c5 3 chigu cua
toa d6 Decartes va them s6 hang thg Wang dm electron vao phu'dng trinh Schrodinger. Ngu'oc
lai mo hinh hat trong hQp mot chigu chi có mot s6 luting tit xuat hien to kat quA toan hoc,
nguyen tit Hydro trong khOng gian 3 chi6u lam xuat hien 3 s6 luting tit - nhu'dudc thay d phan
tigp sau.
* litieeng giai phticing trinh Schrodinger
Cd hoc luting tit van gilt mo hinh nguyen tit hydro g6m mot hat nhan (hat
proton) tich dien e0 e3 trung tam va mot electron tich dien - e0 chuye'n &Ong
xung quanh tam. Theo thuyOt dien dOng hoc c6 dien, the nang ciia electron la
–e2 – e2
U= . Thay U = vao phuong trinh (2-29) ta dtioc plutong trinh
r r
Schrodinger cho bai toan v6 nguyen tit hydro d nhiing trang thai ditng:
h2 32uf 32uf 32uf e2
+ay + az9'
2) (E )W 0 (2-36)
8 2m
872m ax-
Do the nang U chi phu thuiic bie-n so r (khoang each tit electron tOi tam
nguyen tit) nen trUCing th6 cs day la trucking xuyen tam. De thuan tien cho viec
tinh toan, ngliCii ta sit dung he toa dO cdu d6 xac dinh vi tri cUa electron trong
nguyen tit hydro.
Trong he toa dO cdu, toan tit Laplace c6 dang:

v2 - X—
1 a(r2a
—) + (2-37)
r7 ar ar r2 A

1 a a 1 32
day A . (si ne ) + 2 x (2-38)
sine ae ae sin 4.2
Thay (2-38) va (2-37) vao (2-36) dtioc:
1a 2 aW 1 Eirc2m e2
2.-* — (rar ) + T 2 AW + (E + —)N.i = 0 (2-39)
r ar h2 r
Trong toa dO cdu, ham trang thai tp(r, 0, (p) c6 the dude vie't sang dang
tich cila ham ban kinh R(r) chi phu thuOc vao bie'n so r va ham cdu Y(0, (p) chi
phu thuOc vao cac toa dO g6c 0, (p:
w(r, 0, (p) = R(r) x Y(0, (p) (2-40)

64
 Thay (2-40) vao (2-39), re3t dung pinking phap phan li bien se' de tach
phttong trinh (2-39) thanh hai pinking trinh don gian hat:
+ Phitang trinh ban kinh chi chita bie-n se'r va
+ Phttang trinh goc chi chita cac toa de goc 0, (p.
Ti6n hanh giai phttang trinh ban kinh va philong trinh g6c &lac cac
nghiem cua thong.
Nghiem cua phtiong trinh ban kinh la cac ham ban kinh phu thuec vao
hai so nguyen n va C, nen ta ki hieu chung la 11„c(r).
Nghiem dia pinking trinh gee la cac ham c6u phu thuec vao hai so
nguyen C va m, nen ta ki hieu chitng la Ycm(0, (p).
Thong tut trong thuye't Bohr - Sommerfeld tritoc day, a day n goi la so
Wong tit chinh, t goi la se Wong tit phu, m goi la s6 Long tit tit. Ch'ing cang
nhan cac gia tri nhtt trong thuygt Bohr - Sommerfeld. Chi khac a chi!, cac so
litong tit d day có ditoc la nha viec giai phitong trinh Schrodinger.
Nhan nghiem cita phitong trinh ban kinh vii nghiem cua phtiong trinh
gOc met cach Wang ling (tilt hai nghiem nay c6 ding gia tri so Wong tit C), ta
dttOc nghiem cua phttang trinh Schrodinger (2-39) la cac ham trang thai y ncm:
WnCm = Rnc(r) • Ycm(0, (p) (2-41)
Cac ham trang thai kvntn, dac truing cho cac trang thai cila electron trong
nguyen tit hydro. Luc nay ngttai ta goi cac ham trang thai yntm la cac orbital
nguyen tit (vie't tat la AO). Khi C. = 0, 1, 2, 3 ta ce cac orbital nguyen tit toting
ling la s, p, d, f vie't tat Wong itng la AO-s, AO-p, AO-d, AO-f. Khi C = 4 fres len
ta goi cac orbital Wong ling bang cac chit cal tigp theo sau chit f theo this tut
cac chit trong bang chit cai, do la cac chit g, h,
Bang 2.2 cho bie't moi quan he giiia 3 so luting tit trong su xac dinh met
orbital nguyen thai ghi chit tom Cat ten, Sr nghia, cac gia tri (lilac phop
cho mot so- Wong tit va kS7hieu cac AO.

65
 Bang 2.2. Quan he giCra 3 s6 Ittong 1171 (SLT) xac dinh mot orbital nguyen tit (AO)

n i ( m Ten I“/ hi0 T6ng sO AO

SLT chinh SLT phy
SIT tic AO AO (cho moi
(kich thttoc, (hinh dung) (dinh htrang) tynem gia tri n)
tieing Wow) () den (n-1) _e 0 -F.e = ni
1,2, 3, 4...
1 0 (s) 0 is Two 1 = 12

- 0 (s) 0 - --------- • 2s 111200

. -1 - --------- 2py T21-1
4 = 22
- 1 (p) '::, 0 2pz 'P2.10
--- +1 2px T21+1

.. 0 (s) 0 3s T300
.-- -1 3py T31-1
..-- 1 (p) 0 3pz 11/310
--- +1 3px T31+1
..... -2 3dx2-y2 T32-2 9 = 32
..- -1 . --------- - 3dyz T32-1
'• 2 (d) .:'..:.. 0 3dz2 T320
--- +1 3dxz T32+1
..- +2 3dxy 11'32+2

..: 0 (s) 0 4s T400

-1 4py T41-I
.... 1 (p) :: 0 4pz T4I0
.."'. +1 ------ - - 4px T41+1
.- -2 --------- - - 4dx2.-y2 T42-2
-1 4dyz 11f42-1
2 (d) •".. 0 4dz2 T420 16 = 42
...--- +1 4dxz 1P42+1
-..+2 . --------- • - 4dxy T42+2
-3 4fx'-3/5x 11143-3
-2 4fxyz T43-2
.-- -1 4fx(Z-y2) T43-1
\ 3 (f) - 0 4fz3-3/5z T430
' +1 4fz(x2-y) 1p43+1
' +2 4fy(x2-0 T43+2
... +3 4fy3-3/5y 11-143+3

66
 Bang 2.3 ghi mot so nghi:Om caa phtiOng trinh song Schrodinger cho
nguyen tti hydro.

Bang 2.3. MQt s6 ham tang trai coa electron trong nguyen tit hydro

Ten orbital Ham ban kinh Rnt Ham cau Ytn,

l
intm = RrIt•Ytm
nguyen ter (thanh phgn ban kinh) (thanh phgn goo)

1 1 - r
e
W100 hay 1s 2.e'
2jc

r
1 -- 1
W200 hay 2s ,_ .(2 - r).e 2 L.(2 - r).e 2
2A/2 2/71 4-arc

.r.e 2 r- ( — ) y ;

W21-1 hay 2py

2V6 2,/ it r 4-l2i - .e

AfJ- z 1 --2'
nt () z.e
W210 hay 21pz
2-j-E r 4 27c

-‘i , x , 1
nt ,- k. — ) .x.e 2
N121+1 hay 2Px
24 rt r 4-arc
r r
1 1 --
,.(27 -18r + 2r2 ).e
8123 ,--.(27 -18r + 2r2 ).e 3
W300 hay 3s
81-J3n
2AFE
r 2 '
4 -- -1
i
-- y 2
y31-1 hay 3 py
2
,.(r -6r).e 3 ,-( — ) ,.(r 6).y.e 3
81-J6
2v rc r 81 22n

,Z , 2 --
nt f- k — .? .(r 6).z.e 3
khio hay 31pz 2,./7c r 81-%/27t

-1
3-- x 2
nt r-- ( — ) .(r - 6).x.e 3
W31.1 hay 31ox 2-0c r 2 zt
W32-2 hay 4 2 ; "if x2
, r. .e ( 2 y2)) , .(X2 - y 2 ).e 3
3d 2 _ y2 4-Frc r- 81A2n
81
x 81-00

Ark) yz 2 -
3
nt r--- ( ) y z e
kV32-1 hay 3dyz
2-v2rc r2 81-fiTc
,N5 z 2-r 2 1 --
,.(2z2 - x 2 - y2 ).e 3
W320 hay 3d z2 nt (3 )
4/7- r2 81V6 n

xz 2 --r
x.z.e 3
N) ()
N132+1 hay 3dxz nt
2-57C r2 81 2n
r
15-xy 2 --3-
nt .x.y.e
W32+2 hay 3dxy 4-jc (-2-)
r 81-\h7c

kinh Bohr 0,53A° = ao __

(.5 day don vi dai la ban
e la co s6 logarit hi nhien = 2,7182.
N.P.e "

67
 • vay, co the vigt clang nghiem tang quest cua phtiong trinh Schrodinger
cho nguyen tit hydro:
yam = (2-42)
N - thita so chuAn hoes (hang so)
P - da thitc cua cac toa dO
r - khoang each tit go'c toa dO (hat nhan nguyen tii) den diem dang xet
n - mot se nguyen (s6 Wong tit chinh) 1, 2, 3...
* nghia vat 1S7 ciia ham song
Nhac lai rang, yr la mot ham toan hoc khong c6 tinh chat mieu ta vat
nhung w2 lai c6 tinh chat ay. Gies sit c6 2 vi tri trong khong gian, met vi tri
dude xac dinh bOi toa dO r1, 01, cN va vi tri kia 136i toa dO r2, 02, (p2. Xac suat
'Wang dot tim they electron gdn vi tri 1 va 2 dttoc xac dinh bang each thay cac
gia tri cua r, 0 va cp cua hai diem vao ham song, binh pinking gia tri cila ham
song, va tinh tST so sau:
[T(ri , 01 ,(pi f dVi N1
P-F(r2 , 02 , (p2 ]2 dV2 N2
Ts, se; N1/N2 IA tST le xac suet tim they electron trong the tich vo cling nhO
dV1 va dV2 gan diem 1 va 2. Vi du ne'u ty s6 N1 /N2 la 100, nghia là electron
dude tim they trong dV1 vdi xac suat 16n gap 100 Pan trong dV2. Truing hop xet
dV1 dV2 thi tY' s6Ni/N2 la tY) le xac suat tim they electron a vi tri 1 va 2, khi
Ay electron duoc tim they & vi tri 1 vdi xac suat 16n gap 100 Mn vi tri 2. Diu Sr
la mo hinh nay khong cho chUng ta thong tin ve viec khi nao thi electron a vi
tri 1 hay 2 hoac no di chuyen giiia hai vi tri ay nhu the nao. Tinh trang and ho
nay phit hop vdi nguyen 1ST bat dinh ciia Heisenberg. Binh pinking ham song
chi bieu thi sit phan 136 xac suat.
MO each khcii quest thi:
W2 0 le vdi mat do xac suet, nghia la vie suet tim they electron tai mot
dam trong khong gian; va 1,clV tj, le vdi xac suet tim they electron trong ye-u to
the' tich dV.
* Bieu dien ham song
V6i mot mitt nang luong dela ra, cluing ta c6 the bieu din ham tv de'
hieu bon nh6 hinh anh cita cac bieu do, do thi hoac mei hinh. Co 3 cach bieu
din thuang dung.
11 Bieu dd va do thi mat dO electron a biL din xac suat tim they
electron tai mot diem (y2) trong khong gian each hat nhan mot khoang r.
Chung ta khong the xac dinh &toe electron a dau tai m61 thai diem, riffling co
the xac dinh duoc no c6 khi nang tan tai a dau, nghia la phan lon thai gian no

68
c6 mat d dau. Neu c6 the thong ke lei tat ca cac vi tri cila electron tai moi thoi
diem no chuyen Ong song xung quanh hat nhan, hinh anh thu dtioc c6 the
cam nhan nhlu la dam may cac vi tri ciia electron.
21 May electron a bi4u din mien khong gian gen hat nhan nguyen tii
dttoc gidi hen bang mot bg mat, trong do chiia 90% tang xac xugt tim thgy
electron. Nghia la 90% thai gian electron c6 mat trong mien khong gian nay.
Liu Y rang dam may electron la hinh anh kh8ng c6 thiic - khong c6 nghia la
electron khuech tan khap dam may. May electron chinh la each bigu din kith
thuoc Wong doi cUa orbital duce dinh nghia mot cach quy Lick, do'ng thai cho
thgy hinh dang khac nhau cua cac orbital nguyen tit.
3/ Bie9u do va dd thi phoin bOs' xac suet xuyen tam (14 bigu din tang xac
suet tim thgy electron d mot khoang cach r nao do tit hat nhan. De lam dtioc
diet' nay, thong to chia phgn the tich ngoai hat nhan ra thanh nhieu phgn
nh6, mOng, Bong tam, hinh cgu (giting nhtt cac lop ao cua cu hanh) va tim tong
gia tri y2 trong m6i vO
* Bi'411 din cac orbital cita nguyen di hydro
— Orbital Is (Wm). Hinh 2.5 cho thgy 3 each bieu din orbital nay.

Khoang each Khoang each

A tif hat nhAn C D tir hot nhan

Hinh 2.5. Bigu din xac suet tim they electron trong nguyen tit H
8 trang thai co ban / orbital Is.
A. Bidu d6 mat dO electron ten mat cat ngang nguyen tit H. M6i chern mieu to xac suet
tim they electron tai mot diem ngoai hat nhan (ho5c mot thd tich vo tang nh6).
B. 06 thi mat d6 electron (ye theo th6ng tin tit A) cho they mat do gi5m khi r tang nhitng
kh6ng bao gid bAng 0.
C. Chia thd tich nguyen to' thanh chu6i vó ca'1.1 (Tong tam (6 My la mat cat ngang) va
(gi6 thigt) dem cac diem trong the tich nn8i vó cgu.
D. D6 thi ph5n b6 xac suet xuyen tam (ye theo th6ng tin t0' C) cho they tong mat dO
electron (tong t1J2) trong the tich m6i vó cgu. Vi mat d6 electron giam ch5m hcsn sit
tang the tich ciia v6 cgu, d6 thi c6 dinh.
E. May electron hay hinh clang orbital Is (theo dinh nghia de- data) la mot qua cgu c6
ban kinh 1,4A°.

Ket qua trinh bay d Hinh 2.5A va B la bik din xac suet 6 natii digm doc
theo mot dining lien tuc duoc ye bgt ky theo pinking nao tit hat nhan. Do dac

69
tinh cila ham khoo (xem bieu thlic cim ham trong bang 2.3) chi phu thutic r, xac
suat tim thgy electron tai mot diem nao do (w2) se 16n nhgt d ga'n hat nhan va
giam nhanh khi khoang cach tai hat nhan tang. Bai vi xac sugt khong bao gia
bang 0 nen kith thtt6c cila orbital cang khong dttOc xac Binh. Vi kv2 (ciing
nghia vai mat dO electron) phan b6 d6i xung cdu quanh hat nhan (do chi phu
tin* r) nen kith thii6c Wang dici clia orbital is cua nguyen tit H &toe dinh
nghia la mot qua cdu chiia 90% tang xac sugt tim thgy electron. Nghia la 90%
thai gian electron c6 mat trong qua cdu nay. Ap dung quy u6c vita neu va tinh,
ta thu &lac qua cdu có ban kinh 2,6a., hay 1,4.10'm = 1,4A° = 140pm.
D6 thi d Hinh 2.5D ye tang xac sugt tim thgy electron trong m6i v6 cdu
(ghi tren truc tung) theo khoang cach r tit hat nhan (ghi tren truc hohnh). DO
chinh la cach bieu din 47E1'2%200dr theo r. 6 day dr la be day cila \TO cau. D6
thi có ctic dai do 2 anh htiCing d6i lap nhau. Xac sugt tim thgy electron a mot vi
tri nao do se lon nhgt d gdn hat nhan, nhung the tich va cdu lai tang theo
khoang cach tit hat nhan. Vi vay, khi di chuye'n ra xa hat nhan, xac sugt tim
thgy electron a mot vi tri nao do se giam, nhting the tich cUa va cdu lai tang
chiia dtioc nhie'u vi tri hdn. Suy ra, tong xac sugt tang theo ban kinh r va sau
do giam vi xac sugt tim thgy electron a mtii di6'm tra nen rat nha. Ve mat toan
hoc, se xay ra ctic dai vi ham 47u-2 4'20o có r2 tang theo r trong khi Wito giam
theo r. Doi vai nguyen tit H, xac sugt xuyen tam cuc dai cUa orbital is xay ra
khoang cach 5,29.10-11 m hay 0,529A° tit hat nhan. Dieu dac biet la khoang
cach nay dung bang ban kinh quy dao trong ding ma Bohr dua ra, vi \Tay goi
la ban kinh Bohr, kS7 hieu a..
Orbital 2s, 3s (Hinh 2.6) deli co dang hinh cdu dAc thing cim orbital ls,
nhttng lon hdn dang cdu is do gia tri n tang. Cac orbital 2s, 3s có 2 \Tung,
3 \Tung mat dO electron lon, co clic dai, d khoang cach xa tit hat nhan.
Ghia cac \Tung bi ngan cach bet). nhfing nut hinh cdu, a do xac sugt phan
b6 bang 0 (y2 = 0 a nut, Wong tu nhtt Men dO cua mot song). S6 nut tang
khi n tang. Doi voi orbital ns so nut bAng n-1.
Orbital p dtioc trinh bay a Hinh 2.7 vai mot so cach bieu diAn. Vi gia tri
cua cac orbital p vita phu thuOc vao toa x, y, z vita phu thuOc vao r
(xem Bang 2.3) nen de? I wp I 2 16n thi hoac I x I , ho4c I y I hay I z I phai lon
va r nha. Do do may electron cila chUng co hinh dang nhtt qua ta del (2
thug hinh cdu) trai doc cac truc x, hoac y, hoac z cua he toa dO Decartes.
Gina hal thug dtioc ngan cach bai mot nut a hat nhan, có the them cac
nut khac tuSr gia tri cua n. Cdn nho rang, cac orbital nguyen tit la nhang
ham toan hoc, chUng co dgu (gi6ng nhu ham sin dao citing tit phAn diking
sang phdn am). Cac ham ciia orbital ns luon &icing trong khong gian 3
chi6u, nghia la gia tri cila ham d bgt kST diem nao trong kh8ng gian de'u
cho ke't qua la mot s6 dtidng. Nguac lai, cac ham orbital p có dgu khac
nhau a cac vung khac nhau trong khong gian.

70
 C
O O O
a) n=1 a) a)
1=0 n=2
,>. >,
1=0 •,(75

EE EE EE
p 0,01/43
yi cro
Re)
z
<10
u ip
F, Z.
E 0E E
X x 03' x

0 2 4 2 6 8 10 12 14
-1 0
r (10-10m) r (10-10m) r (10 m

n=1
1=0

E E
‘ca
C

x
7

Co CO
X X

c C0)
c 'Co C
LRO R0
o.
0 2 4 2 4 6 4 6 8 10 12 14
r(10 11) m) r (10-10m) r (10-10m)

Al s orbital B 2s orbital C 3s orbital

Hinh 2.6. 06 thi mat dO electron (phia tren); mot phan may electron (giaa);
va d6 thi phan b6 xac suat xuyen tam (phia du'oi) cua ba orbital s.
A) Orbital ls B) Orbital 2s C) Orbital 3s
(Don vi cua truc ngang la ban kinh Bohr = 0,529.10-10m)

71
 B 58

•
Fra

is

D E

Hinh 2.7. Bidu din cac orbital p

A. Bidu din mat do electron caa orbital 21Dx
B. D6 thi phan b6 xac sugt xuyen tam orbital 2p
C. Hinh clang va so dinh hu'Ong cua cac may electron 2p
D. Bidu din mat d6 electron 3p trOn mot mat cat ngang nguyen tii
E. D6 thi ph5n b6 xac sual xuyen tam dia orbital 3p

—Orbital d voi met so- cach bieu dien duoc trinh bay a Hinh 2.8. Ltiu 57 rang
orbital d dau tien xuat hien chid gia tri so Wong tii n = 3. Nam orbital d
có 2 hinh clang co ban khac nhau: dang 4 thug (dxy, dyz, dxy, ) va
dang 2 thug kern theo met "that lung" (d z2 ). Dau cila orbital d duoc chi
ra trong cac be mat gioi han.
Chu ST la dgu + hay - ghi trong cac dang may electron chi coy nghia la gia
tri cilia ham trang thai y hoac > 0 hoac < 0 ttfdng ling ma thoi. Dieu do có loi
cho giai thich su hinh thanh lien ket hod hoc sau nay.

72
 IN. I

0 It r

1*2
3d
I I
A BO 2 4 6 8 W 12 1'

C
Hinh 2.8. Bidu dien cac orbital 3d
A. Bigu din mat d6 electron
B.06 thi phan b6 xac suat xuyen tam
C. Hinh dang va sir dinh hudng cOa cac may electron

(Lilu ST: 4 thug cita orbital dxz, dyz va dxy d trung tam cac mat phang va
nam giita cac true tilting ling.
4 thug cita orbital d x2 _y2 a trung tam mat phang xy va nam doc theo cac
truc x va y.
Orbital dz2 c6 2 thug doc theo truc z va mot vanh nam i3 trung tam mat
phang xy).
* Cac so lacing tit cUa cac electron trong cac nguyen tit
Cac s6 Dieing tit dac triing cho ski chuyen Ong cita cac electron khong
nhting trong nguyen tit hydro ma con trong cac nguyen tit khdc bat ki. Nhcing
dac tritng nay rat quan trong de hieu biet nhfing tinh chat cita cac chat va ban
chat cita lien ket hod hoc. Do d6 chting to de cap den ST nghia cua the so lacing
tit chi tiet hon.
a. So- lu'cing chinh n
n c6 the co cac gid tri nguyen &tong 1, 2, ..., 00.
n cho biet lop orbital, kith thy& may electron (orbital), nang Wong dia
electron, s6 mat nut dm orbital.
Neu trong thuyet Bohr - Sommerfeld, n cho biet lop qui dao thi theo cd
hoc Wong tai n cho biet lop orbital. n bang bao nhieu thi lop orbital ay co
orbital. Thi du n = 3, lop orbital nay c6 32 = 9 orbital.
Theo cd hoc lacing tit, electron trong nguyen tit c6 the thay d khoang cdch
bat ki tOi hat nhan, nining xac suat tim thay of nhfing khoang each khdc nhau

73
la khac nhau. Khi bidt mat do phan b6 cUa electron, chting ta c6 thd tinh dtiOc
khoang each trung binh (rtb) tit vi tri cila electron toi hat nhan. Khoang cach
nay dac trUng cho kich ankle cila may electron. Lay tich phan ham ban kinh
se thu thioc rtb. Gia tri rtb duoc xac dinh bang cac gia tri n va 1. Doi vdi electron
trong nguyen tit hydro va nhfing ion giong hydro (nhfing ion c6 met electron,
met hat nhan nhu He, Li', Be'), he thitc tinh rtb la:
a n2 1 1(1+1)1}
rtb = ' .{ 1 + [1 (2-43)
2 n2
6 day at, = ban kinh qui dao Bohr this nhat (0,53A°)
Z = dien tich hat nhan cUa hat.
Tit (2-43) cluing ta thay rtb xap xi ti le vdi n2. Suy ra n xac dinh kich
thuoc may electron, n tang, kich thuoc may tang. Thi du kich tint& may 3s >
2s > ls, kich thtfoc may 3p > 2p.
Tit tren ta thay, trong nguyen Oa hydro, d6i vdi cac trang thai ls, 2p, 3d...
tai cac khoang cach trizng vdi ban kinh quy dao Bohr Wong ling, xac suit tim
thay electron là cue dai (xem Hinh 2.5, 2.6, 2.7, 2.8).
Nang Wong cila electron trong nguyen tui hydro chi phu thuec vao gia tri
s6 Wong tit chinh n. Giai phtiong trinh Schrodinger (2-39) duoc he thdc nang
luong cUa electron trong nguyen tit hydro:
— 27c2 me 4
En = (2-44)
h112
He -Or& nang Wong (2-44) trong co hoc Wong tit triing vdi he tit& nang
Wong (2-9) trong thuydt Bohr. Khac thuydt Bohr a ch6 cc; hoc Wong tit thu
thick ke't qua nay khong can dila vao nhiing gia thidt rang electron chi c6 the
chuydn Ong trong nhiing qui dao xac dinh. Theo (2-44) ta thay khi n tang thi
nang luting tang.
Do n xac dinh nang Wong cila electron, mot dac truing chinh cila electron
trong nguyen tit nen n duoc goi la s6 Wong tit chinh.
S6 Wong tit n con cho bie't s6 loai mat nut ciia orbital. Thi du n = 2 c6 hai
loai mat nut.
1\46i mat nut la qui tich nhting didm c6 y = 0. Do NJ = 0 nen y2 = 0. Vi \Tay
mat dO may electron 6 mat nut bang 0. Mat di dai vo han khOi hat nhan cling
la mat nut do trong truang hop nay khoang each r = oo nen NJ cling bang 0.
Su hien hau cUa cac mat nut trong ski phan b6 mat de electron nay sinh
tit cac dinh luat dm the gioi vi mo. Syt chuyen dOng cua cac hat diioc mieu ta
bang cac phuong trinh Wong tit nhu cac phuong trinh cua chuyen Ong song.
Trong mei met song c6 nhfing diem a do Ellen de dao Ong bang 0. Ndu dao
deng ba chieu thi tang nhang didm nay tao thanh mat nut. Cac mat nut cilia

74
cac orbital c6 hai mot loai khong di qua hat nhan, mot loai c6 di qua hat
nhan. Loai this nhat la nhung mat cau, tam dia chung trung voi hat nhan.
Loai this hai la cac mat phang hay mat non, cluing di qua hat nhan (xem Hinh
2.9). SU c6 mat dia mat nut cau duoc chi ra trong thanh phan ban kinh cua
ham song - d khoang cach r xac dinh c6 yr =. 0. Didu nay d8' thay trong Hinh
2.6, 2.7.
b. So-lu'o'ng tet phi!
S6 luong tit phu t quy6t dinh gia tri dia /amen Ong Wong orbital ciia
electron. Goi momen nay la M, cd hoc Wong tii da xac dinh dudc 118 thiic sau:
h
M= Afe (i +1) — (2-45)
27-c
day M = momen dOng Wong orbital cila electron
= 's6 Wong tit phu co cac gia tri 0, 1, (n-1). Thi dun = 3 thi t = 0, 1, 2.
h = hang s6 Planck.
Cac electron a ding lop hay khac lop orbital nhting c6 ding gia tri s6
Wong tit t thi c6 ding gia tri M. Thi du cac electron ns (d8u cot = 0 nhung n =
1, 2, 3, ...) thi de'u c6:

M = V0(0+1) 2t = 0

Cac electron np (d6u co t = 1 nhung n = 1, 2, 3...) thi d6u c6:

Ail (1 + 1) h = h
27c 2rc
Bdi cac electron c6 ding gia tri t thi co ding gia tri M nen s6 lacing tit t
con duoc goi la s6 lacing tit orbital.
t cho bigt dang hinh hoc cila may electron. Khi t = 0, may c6 clang hinh
cau; t = 1, may co dang qua to &Si; t = 2, may c6 dang hoa thi bon canh,
cho bigt phan lop orbital. Di8u nay se gidi thi8u trong phan s6 Wong tii
tit dtioi day.
t cho bie't c6 bao nhi8u mat nut dia ham song di qua hat nhan, xem Hinh
2.9. Nhu to da bi6t ci tren, mot trong so cac mat nut luon luon khoang cach r
vo han toi hat nhan. Do d6 ma t bie'n thien tii 0 toi (n - 1).
c. SO- lito'ng tet tee m
Co hoc luong tit cho thy nhting orbital c6 ding gia tri t se c6 ding gia tri
momen Ong Wong orbital M, nhung duoc phan b6 trong khong gian theo (2t +
1) phuong khac nhau. Cac pinking orbital nay duoc dac tiling bang s6 Wong tit
tii m. Gia tri m &toe xac dinh flint sau.

75
 Hinh 2.9. Vi trf dia cac mat nut d61 voi nhimg tang thai khac nhau dm electron

Do M la dai Wong vectd, khi chieu cac vectd nay xueing met true, chang
han truc z (hinh chieu caa M chi xac dinh tren met truc, vi theo nguyen 11 bat
dinh Heisenberg thi cac hinh chieu khac khong the xac dinh dtioc) thi cac gia
tri hinh chieu cua Chung, ki hieu Mz, duoc xac dinh bang he thifc:
h
Mz = m. (2-46)
27c
day M, = gia tri hinh chieu cua momen &Ong Wong orbital, con goi la
momen tit orbital ciia electron.
m = so luting tit
m c6 cac gia tri 0, ±1, ..., ±t.

-2 -1 0 1 2 X
h z
2n
Hinh 2.10. Cac gia tri hinh chigu M, cUa momen tit orbital cilia cac electron có ding t = 2,
h ,
cung M = r xuong truc z
27r

h
Thi du cac orbital c6 t = 2, c6 ciing momen orbital M = , nhUng
2t
co 5 gia tri hinh chieu khac nhau Mz xuong truc z la: - 2—h h ; 0; —
; -- h
I ;
27r 27E rc
76
 h ,
2 . Dieu do c6 nghia c6 5 orbital deu co C = 2, nhung 5 orbital nay c6 5
2m
piniong khac nhau duoc dac truing bang cac gia tri khac nhau cila m la - 2, - 1,
0, 1, 2 (xem Hinh 2.10).
Toi day to thay trong lop orbital n c6 n2 orbital la hien nhien. Bal vi ling
vOi gia tri n xac dinh c6 n gia tri t. WA met gia tri C lai c6 (2t + 1) gia tri m tlic
có (2f + 1) orbital.
Thi du n = 2 c6 22 = 4 orbital.
n = 2 —> C = 0 —> m = 0 có orbital ku. 200
1 —> m = 01 - Y21-1

W210

W211

4 orbital
d. So lu'cing tic' spin s. Orbital tam phtin
Trong thuyet Bohr - Sommerfeld da de cap toi to hop 4 s6 ltiong tit n, f,
m, s dac truing day dU cho ski chuyen &Ong cila electron theo cac qui dao xac
dinh. Toi co hoc Wong tii, khi giai phuong trinh Schrodinger phi Wong deli (2-
39) cho nguyen tit hydro da thu duoc cac s6 Wong tii n, €, m, chtta thgy xugt
hien s6 Wong tit this tui (s6 Wong tit spin) do do ti do this tut nhui da duoc goi la
"spin" cila electron ma c6. Spin chInh la ski xoa. n, skf quay quanh truc cua
minh, hay ski ti.1 quay. Spin cila electron c6 dtioc la nha momen deng Wong von
c6, con goi la momen rieng, momen spin cim no. Spin dm electron clang la met
dac truing co ban giong nhui dien tich va khol Wong cila electron.
Nam 1928, Dirac, nha vat 11 Anh da bleu chinh khol Wong hat theo
thuyelt tutting doi Einstein, Ric nay phitong trinh Schrodinger trod thanh
piniong trinh tutting d6i hod. Viec giai phuong trinh da thu duoc he thitc xac
dinh momen spin cita electron:

Ms = js(s+1) (2-47)
27c
1
vOi s = —
2
Ms = Momen spin cila electron.
Hinh chieu Ms xufing met truc, till du true z c6 4 lon Ms(z):

Ms(z) = ms 27-c (2-48)

77
 6 day MS(Z) = hinh chie"u cua vecto momen spin cila electron xu6ng true z.
1 1
2 va - - . Thing
ms = s6 Wong tit spin. ms chi c6 hai gia tri la ± s titc + -
ngttcii ta ki hi6u s6 Wong tii spin la s thay cho ms.
Momen d6ng Wong toan phan cim electron bang tang hai momen thanh
phan: momen Ong luting orbital va momen spin. D6 lOn cUa momen ding lacing
toan phan, ki hieu Mj duoc xac Binh bang so Wong tii j, goi la so- Wong tii n6i:
M; Vj(j+1) h (2-49)
2 TC
6 day Mj = momen do, ng Wong toan phan cim electron.
j= s6 Wong tit n6i = t + s = t +
2
Truang hop (C + 1-) duoc goi la hai momen thanh phan song song, con
2
1
- ) la hai momen thanh phan d6i song.
2
T6 hop 4 s6 Wong tit n, C, m, s m6 ta day du sit chuyen d'Ong cUa electron
trong nguyen tii. Si chuye'n d6ng nay killing con mot dac tinh nao khac ma
khong phu thu6c vao 4 so- luting tit nay. N6i khac di, to hop 4 s6 luting tit la
di:6u ki6n can va du de mo ta trang thai dia. electron. 4 so- luting tit dac thing
cho 4 d6 tit do cua electron. Cac orbital will., lien quan toi 3 d6 tit do dai ch6-
trong kh6ng gian nen wrilm dtioc goi la orbital khong gian. Con do tit do this tU
lien quan toi s nen orbital mo ta day du electron duoc goi la orbital toan phan,
1 1
phu thu6c vao n, m, s, duoc hieu iiintins. Do s c6 chi hai gia tri + - va - -
2 2
nen tang voi m6i orbital khong gian c6 hai orbital toan phan. Thi du orbital
khong gian la kv210 c6 hai orbital toan phan lava 210+ —
210-
2 2

Nhtt vay trong lop orbital n c6 n2 orbital kh6ng gian va 2n2 orbital toan
phan. Di'6u nay c6 nghia trong lop orbital n c6 the CO 2n2 trang thai khac nhau
titc c6 the c6 2n2 electron.
* Nang luting cila electron va quang ph6 phat xa cim nguyen tit hydro
Theo Bohr cling nhii khi giai pinking trinh Schrodinger phi ttidng doi hod
(2-39) duoc ding mot he thlic nang Wong cim electron trong nguyen tit hydro la:
27c 2 me 4
E° = h2n2 (Xem 2-44)

Sau d6, vOi pinking trinh Schrodinger Wong dOi hoa ta duoc he thitc nang
Wong cila electron trong nguyen tit hydro la:

78
 — 2TE 'm e 4 a21 1 3
E nj =
2h2 1+ (2-50)
n n J+1/2 4n,

6 day E nj = nang Wong cUa electron trong nguyen tii hydro

n = s6 Wong tit chinh
h = hang s6 Planck

j=so- Wongti nei = f, + s = C +

2
2,7ce2 1
a = , goi la hang s6 c6u trot tinh vi.
hC 137
Theo (2-44) nang luong cila electron trong nguyen tit hydro dtioc xac Binh
bang s6 Wong tii n,va khong phu thuec gi vao nhiing khong C, m, s. Nhti
vay c6 nghia c6 the c6 met s6 trang thai khac nhau (nhiing trang thai nay c6
ding gia tri n nhung do ding s6 Wong tit C, m, s c6 gia tri khac nhau) c6 ding
gia tri nang Wong. Hien ttiOng nay goi la su' suy Nen. Si suy hien hien mat khi
nguyen dat trong dien trang hay tit tritang nao d6. Do hie nay cac electron
trong cac trang thai ding n nhung cac gia tri C, m, s khac nhau chiu tac deng
khac nhau cua dien tit trang ngoai, ket qua la nhung nang Wong
trang thai nay tra nen khac nhau, tuan theo he thilic (2-50). Hien ti.tong nay
goi la phan suy hien. Dieu nay giai thich dttoc sit phan giai cua cac vach quang
pho (Oh met vach c6 the tach thanh met s6 vach sit nhau), khi ngu6n phat xa
dat trong dien trang hay tit trilang.

1.3.6. eng dung phudng trinh Schrodinger vao nhang he gang hydro
(chi có mot electron)
Hien nhien moi dieu not v6 nguyen tit hydro hoan toan dp dung duoc doi
vdi nhang he chi c6 met electron nhii He (Z = 2), Li2+ (Z = 3), Be3+ (Z = 4).
Nang Wong dia electron trong nhcing truang hop nay la:
— 2Th2me4z2 -13,6 . Z2
= h 2 n2 (eV) (2-51)
2
n
Bieu fir& (2-51) tinh nang Wong cUa electron trong cac he giong hydro
chi khac bleu thlic (2-9) tinh nang Wong cila electron trong nguyen tit hydro 6
ch8 la trong (2-51) c6 them dai Wong Z do Z > 1, con trong (2-9) khong c6 Z do
hydro c6 Z = 1.
S6 song cUa cac vach quang ph6 trong nhung tritong hop nay la:
1
= Rx .Z2 ( 12 — --,-) (cm-1) (2-52)
ng n;

79
 6 day Z = so dien tich hat nhan ciia. hat. Th.1. du Li24- có Z = 3, He c6 Z = 2.
Rx = hang s6 Rydberg al voi nguyen tit X. Thi du RHe = 109722,2 cm-1.
So song ciia cac vach quang phO cila ion He la:
— 1
v = 109722,2 x 4 x (—T — (cm-1)
n n1x
1.3.7. eng dung phudng trinh Schrodinger veto nguyen tet nhieu electron
* Phudng phdp gan dung xac dinh ham trang thai cua don electron trong
nguyen tit nhi6u electron
Doi vdi nhiing nguyen tit co hai electron ft:6 len, viec giai phvong trinh
Schrodinger de thu duoc cac ham song y m6 ta trang thai chung cua toan 190
vO electron la bat kha. Do do nguai ta phai xay dung platOng phap gdn dung.
Su gdn dung d ch6 pinking phap nay dila tren mot mo hinh Wan dung do nguai
ta dua ra vet chap nhan, sao cho ke't qua thu duoc tit mo hinh nay phi' hop vdi
thuc te". MO hinh gdn dung nay thu ditoc khi ngttdi ta don gian hod nguyen tit
nhik electron v6 dang nguyen tit mot electron nhii nguyen tit hydro. Cu the,
trong nguyen tit nhieu electron, nguai ta coi m(ii electron chuyen d6ng d6c ldp
vOi cac electron khac trong mot frith/1g the trung binh c6 doi xiing cau. TritOng
the trung binh nay ditoc tao ra hal hat nhan nguyen tit vet cac electron con lai.
I\Thit \Tay su chuyen d6ng cua m6i electron d day taring to nhit st.1 chuyen d6ng
ciia electron trong nguyen tit hydro. Thanh this phitong trinh Schrodinger cho
don electron trong nguyen tit nhi6u electron tri nen tuong to nhit phuong
trinh Schrodinger cho nguyen tit hydro (xem 2-36) vet (2-39)). BOi nhang le
tren ma ngitai ta goi m6 hinh gdn dung nay la mo hinh ve cac hat d6c ldp, m6
hinh frith/1g xuyen tam hay mo hinh dang nguyen tit hydro.
Cac ham song don electron thu ditoc khi giai phttong trinh Schrodinger
day cling goi la cac orbital nguyen tit (AO) hay cac qui ham. Do trang the
cling c6 d6i xitng cau nen ham khong gian tv(r, 0, (p) cling ditoc vie't dttoi dang
tich cila ham ban kinh R„((r) vet ham cau nhit (2 — 41):
YnCm = RnC(0•YEm(e, P) (2-53)
n, C, m ci day cling nhit trong nguyen di hydro.
n la s6 Wong tit chinh, có the c6 cac gia. tri 1, 2, ..., co, dac tning cho lOp
orbital, kich thitoc may electron, nang Wong ciia electron.
C la s6 hiring tit phu c6 cac gia tri 0, 1, ..., (n - 1), dac trung cho phan lap
orbital, hinh dang may electron. f, = 0 goi là phan lap orbital s hay electrons, may
s; C = 1 - phan lop p, electron p, may p; C = 2 - phan lop d, electron d, may d.
m là s6 Wong tit tit c6 cac gia tri 0, ±1, ±C, dac tritng cho sit dinh
twang trong khong gian cna cac orbital.

80
 Lop orbital n có n phan lop orbital. Phan lop orbital C có (2C + 1) orbital
khong gian Wntm. AI& orbital khong gian yinEm có hai orbital toan phan tv 1
nem- 2
va lif 1 . Do dO lop orbital n có n2 orbital killing gian va 2n2 orbital than
nem + -
2
phAn (co the chita dude 2n2 electron khac nhau).
De xac dinh ham khong gian yncm (2-53) can xac dinh ham ban kinh RnL(r),
con ham c6u Ycin(0, (p) da. biet (xem bang 2-3).
Xuat phat tit nhang dil kien thuc nghiem va tinh toan 1ST thuye't, nam
1930, Slater da neu ra nhfing he that gdn dung xac dinh ham ban lull-1h Rn(0.)
va nang luting Ent cila don electron trong nguyen tit nhigu electron va thang
dude goi la phuong phap ga'n thing Slater &Mil day:
-Z*r
Ham ban kinh: R nl(r) = c.r(n*-1).e(n.)2a° (2-54)

—(Z* )2 .e2
Nang Wong cila electron: E nt = (2-55)
(n*)2 .2a0
Trong (2-54) va (2-55):
Rn[(r) = ham ban kinh.
En( = nang Wong electron.
c = hang s6.
r = khoang each tit electron dang xet toi hat nhan.
n* = so'hiOng tit hieu dung (him hieu).
Z* = Z - b = s6 dien tich hieu dung (hitu hieu).
Z = s6 dien tich hat nhan
b = hang s6chAn.
e trong (2-54) là co s6logarit to nhien = 2,7182.
e trong (2-55) la di.0 tich electron = - 4,80286.104° dvtd.
h2
ao = 47.c
;--.', 0,53 A° (ban kinh Bohr)
me
Khi lay ao lam don vi dai thi (2-54) va (2-55) tra thanh:
-Z*r
R nl(r) = es(n.--0 .e n* (2-56)

—(Z*)2 .e2 —13,6 (Z* )2

EnC = = (eV) (2-57)
2(n* )2 (n*)2

81
 Bang each bier' thien cac gia tri cua n* yd. b (lien quan tOi Z*) sao cho
nang ltiOng En( c6 gia tri tieu, Slater da tim ra ditoc nhi ng qui tic xac
dinh n* va b duoi day:
a. Xac ctinh so" lacing tee hieu dung n*
S6 Wong tit hieu dung n* lien quan vdi s6 Wong tit chinh n nhtt sau:

n 1 2 3 4 5 6 ...
n* 1,0 2,0 3,0 3,7 4,0 4,2 ...

b. Xac ctinh hang so chcin b

Hang so chin b la phdn s6 dien tich hat nhan bi chin. Trong nguyen tit
nhieu electron thi khong phai toan bo s6 dien tich hat nhan Z tic dung len
electron dang xet ma met phdn s6 dien tich nay da bi than bai cac electron con
lai (a moi nhom orbital phla trong hay ding nh6m orbital yedi electron dang
xet). Phan so dien tich hat nhan bi chin nay goi là hang s6 chin b. Nhtt vay s6
dien tich hat nhan tic dung len electron dang xet la (Z - b) = Z*, ditoc goi la s6
dien tich bleu dung.
Hang s6 chin b bang tong s6 de chin cila moi electron gay chin. Ho chin
cua moi electron gay chin phu thuec vao vi tri cua no va vao vi tri dia electron
Bang xet, not khac di la phu thuec vao nhom orbital chita chimg. Slater xac
dinh do chin ciia cac electron nhit sau:
Ong chia cac electron (cac orbital) thanh cac nhom orbital:
is
2s2p
3s3p
3d
4s4p
4d
4f
DO chin cii) a cac electron la:
+ Cac electron a cac nh6m orbital nam ngoai nhom orbital c6 electron
Bang xet, c6 do chin = 0. Noi khac di la Chung khong gay chin.
+ M6i electron con lai trong nhom orbital c6 electron dang xet c6 de
chin = 0,35. Neu electron dang xet d nh6m is thi thay 0,35 bang 0,3.
+ Neu electron clang xet la electron s hay p thi moi electron trong nhom
orbital lien trong (so vdi nhom orbital chia electron dang xet) c6 de
than = 0,85; moi electron trong moi nhom orbital con laid phia trong
niaa deu c6 do char' = 1,00.

82
 + Neu electron dang xet la electron d hay f thi moi electron trong moi
nhom orbital nam phia trong crigay ca khi cling lop 9nhom orbital có
electron clang xet deu c6 do chan = 1,00.
Lgy viec xac ctinh ham ban kinh Rd(i) va nang Wong En€ cua cac electron
trong nguyen tit carbon lam till du.
C (Z=6) có 6 electron, chia thanh cac nhom orbital theo Slater: (10;
(2s22p2).
- Hang so- chan b va dien tich hieu dung Z*:
Doi vdi orbital is (electron 1s): b = 0,3; Z = 6 - 0,3 = 5,7.
D6i vdi orbital 2s hay 2p (electron 2s hay 2p):
b = 0,35 x 3 + 0,85 x 2 = 2,75
Z* = 6 - 2,75 = 3,25
- Ham ban MI-1h R„{(r):
Rls = c . e-5'7r
Res = R2p = c . r . e-1.625r
- Nang Wong Enc:
Els = - 441,8 eV
Els = E2p 35,9 eV
Nang Wong chung cua cac electron trong nguyen tit bang tong nang
Wong cua moi electron.
Trong nguyen tit carbon, Echung = - 1027,2 eV.
Cac ham w tim dtfoc theo pinking phap Slater d6i vdi nhfing nguyen tit
nhieu electron có dang giong nfrif cac ham y tim dive trong nguyen tit hydro.
Do do neu ding trang thai s hay p hay d thi hinh clang may electron giong
nhau, nhiing nang Wong va kith thltdc may giam khi s6 dien tich hat nhan
nguyen di tang. Lay truang hop electron is lam ail du dtidi day.
1
Vol nguyen.tit hydro có:W icio = 1.7_. .e' (a) (xem Bang 2.3).

Vdi nguyen tit nhieu electron có Z > 1, theo bieu thitc (2-56), trong triiang
hop nay n* = n = 1 nen:
R10 = c.e-Z*r (2-56')
1
Nhan (2-56') vdi ham cau Y00 , ( em
x Bang 2.3), to
24 II
c z., (b)
.e
21

83
 So sanh (a) vdi (b) khi c = 2 trong (b) ta thay 2 orbital is chi khac nhau
phan 1uy thiia cua e. Do Z*r > r nen truang hdp (b) có kir dan tdi 0 nhanh hdn
truang hdp (a), tic kv2 hay mat de xac suat giam nhanh hdn khi xa hat nhan.
Do do kich thuoc may electron cang nhu nang luong electron cUa electron is
trong nguyen tit nhi'eu electron nhO hdn trong nguyen tit hydro. Khi s6 dien
tich hat nhan Z cang tang thi kich thy& may va nang Wong electron cang
giam ne-u cung trang thai. Nhu vay kich thuoc may Ira nang Wong cila
electron:
is (H) > is (He) > is (Li) >
2p (H) > 2p (He) > 2p (Li) >
Ngtiai ta thay yen trang thai s, kich tint& may va nang lt.tOng cua
electron giam cham, vdi trang thai p giam nhanh hdn, vdi trang thai d giam
nhanh hdn ncia khi Z tang dan.
* Trinh tit cac mite nang tong cua cac
orbital hay cac electron trong nguyen tit
6d
7$ 51
Cac trang thai don electron thuang
5d 61) dtioc ki hiOu van tat bai cac s6 ltiOng tit n
6s

4d
41

5p
a
va t. Met electron trang thai nt cang
4p
5s dtioc goi la electron nt. Thi du electron
3d trang thai 3d cang goi la electron 3d.
4s
Dua vao quang ph6 nghiem va tinh
3p
toan li thuyet, riguai ta da xac lap duoc
trinh ttt cac mitt nang Wong trong nguyen
tit nhi'eu electron. Trinh tit nay dttoc phan
anh ii qui tdc Klechkowski: ming luvng
2p
tang khi gici tri (n + f) tang. Tru'('ing hop
hai mac cling gici tri (n + thi new có
n nhe) ho'n la nh6 Mn. Thi du E40 < E32;
E31 < E40.
Trinh tu cac mitt nang Wong la:
ls < 2s < 2p < 3s < 3p < 4s < 3d < 4p <
5s < 4d < 5p < 6s
< 4f < 5d < 6p < 7s < 5f < 6d
Trinh tu nay chicic the hien re rang
,s hdn tren so de d Hinh 2.11.
Hinh 2.11. Trinh tit cac mac va phan mac nang luong trong nguyen tit nhi6u electron.
Nang Itiong Wong d61 cua cac phan Idp tang len theo se luting tit chInh n (1 < 2 < 3...)
va s6 Itiong tit phu t (s < p < d < f). Voi mot gia tri n xac dinh, nang ILtong cua cac
electron tang d5n theo th(t tit ns < np < nd < nf. Khi gia tri n tang, nang lifting cua cac
ph5n lop cang sit On nhau.

84
 Cdn clad y mot hieu itng quan trong gifia hinh dang orbital (gia tri cua t)
voi nang Wong cUa electron. Chang han, mot each trung binh thi electron 2s
xa hat nhan hcin electron 2p mot chUt, nhUng dUng xem rang electron 2s bi
but yeu hon va c6 nang Wong cao hon. Hay chti ST tilt so d6 d Hinh 2.12:
electron 2s tham nhap vao yang rat gan hat nhan (phan b6 xac slat xuyen
tam khong có nut qua hat nhan), trong khi electron 2p khong bao gia den gan
hat nhan dttOc (do c6 nut c1 hat nhan). Hi."0 ffng tham nhgp nay lam tang 14c
but cUa hat nhan vdi electron 2s. Vi the orbital 2s di nang Wong thap hdn
orbital 2p.
Thong tu, mac du electron trong AO-3d cc') xac suat xuyen tam lon nhat
gAn hat nhan hon electron thu6c AO-4s, nhung vi electron 4s xam nhgp vao
ben trong tat lion nen c6 /mac nang Wong thap hon 3d (Hinh 2.11 va 2.13).
2p (r; =, 2, I r. 1!

2s (n 2, /
6

3d
/".
e
r (A°)
Khoang cach tii hat nhan
Hinh 2.12. 06 thi phan b6 xacsuat xuyen Hinh 2.13.ID6 thi phan b6 xac suat xuyen
tam dm orbital 2s va 2p tam dm orbital 4s va 3d

1.3.8.Quy lucit phan bd electron trong nguyen tit

Trong nguyen tit nhi6u electron, trinh t>t phan b6 electron vao cac orbital
phai tuan theo cac nguyen ly va quy tac dui% day.
a) Nguyen ly vieng ben
Trong nguyen tit d trang thai co ban, cac electron phan b6 Ian loot vao
cac orbital có phan mitt nang Wong tit thap len cao.
Theo do, dUa vao trinh tit cac phan mitt nang ltiOng (Hinh 2.11), electron
duoc Lan lUot din vao cac orbital theo hitting mill ten trong hinh 2.14.
n= 1 2 3 4 5 6 7
1 = s -3 S
/1
1/3 /11

d
dd d d

Hinh 2.14. Trinh tai dren electron vao cac phan lop orbital

85
 b) Nguyen ly loai trio' Pauli
Trong mot nguyen tii khong the tem tai hai electron c6 ding gia tri cila 4
so Wong tit.
NOi khac di, trong mot nguy8n tit, m'oi orbital toan phan hay miSi to hop
xac dinh 4 s6 Wong tii (n, t, m, s) chi dac thing cho /OA electron. Suy ra, moi
orbital nguyen tit tv„,c,,,, c6 toi da hai electron va Chung phai co spin d6i song.
c) Quy teic Hundt
Trong cling mot phan lap, cac electron có khuynh hu'dng phan be sao cho
tong spin cUct cluing la clic ctai. Di6u d6 co nghia, cac electron iiu tien phan b6
dOc than vdi spin song song trong cac orbital cila mot phan lop.
1.3.9. Cac each bau dibt nguyen tit
138-n day ta da thay cau tao nguyen tii là nhu th6 nao. Nguyen tit gtim c6
hat nhan voi s6 di8n tich la Z, citing th6i c6 Z electron phan b6 xung quanh.
Cac electron nay chuyk dOng theo nhung dinh luat cua cd hoc Wong tit.
Khong th8? not toi qui ciao ciia electron ma chi c6 the not tdi mat dO xac suat
a
tim thay electron chb' nay cht) khac la lon hay nhO. Ski phan b6 cac electron
c6 qui luat. De de hien, ngitai ta thit6ng bik din nguyen tit bang eau hinh
electron, so de, o Wong tii (sd de) electron, sd cr6 nang Wong), sd d6 may
electron.
a. Ulu hinh electron
Cgu hinh electron ciia nguyen tit &toe bieu din bang cac s6 Wong tit n, t
nhu sau:
tanTbn"t"c...
trong d6: n, n', n" la cac gia tri sec kiting iii chInh;
t, t', t" - cac gia tri s6 Wong tit phu;
a, b, c - s6 electron c6 trong phan
Khi t = 0 c6 phan lop s hay electron s
t = 1 co phan 16p p hay electron p.
Dui% day la vi du vigt eau hinh electron ciia nguyen tii mot so nguyen to.
Hydro, H (Z = 1), cau hinh electron la Isl.
Heli, He (Z = 2), cau hinh electron la 1s2. Cong thiic van tat nay khong
cho N.& thong tin ve gia tri spin electron. Tuy nhien, vao nguyen 157
loai frit Pauli, ngitai doc hoan toan co th8' suy luan ditoc 2 electron trong
1s2 da ghep doi (doq song) va tong spin nguyen tii bang 0.
Oxy, 0 (Z = 8), &toe bik dign:

86
 Cau hinh electron day du: 1s22s22p4.
Cdu hinh electron torn tat: [He] 2s22p4 hoac 2s22p4. CS day, [He] thay th6
cho [14 là cau hinh electron caa khi trot heli tao loi electron ben viing phia
trong.
Cau hinh electron c6 ltiu y d6n quy tac Hund voi 3 orbital p suy bi6n:
2s2 2py2 2pz1 2p,c1 <-> 2s2 2p3,1 213,2 2px1 H 2s2 2py' 2pz1 4.2
- Mangan, Mn (Z=25), dltoc bien di6n:
Cdu hinh electron ddy 1s22s22p63s23p64s23d5
Cdu hinh electron torn tat (chi gift lai lop orbital ngoai cling va phan lop
li6n trong la nhang orbital c6 electron hoa tri): [Ar] 4s23d5 hoac 3d54s2.
day, [Ar] thay th6 cho [1s22s22p63s23p6] la eau hinh electron caa khi trd Argon
(18 electron) tao loi electron 136n viing phia trong. Stt chuydn doi 4s23d5 ->
3d54s2 &toe giai thich la do hidn ti.iong co lai caa phan lop d hoac phan lop f
(trinh bay d phia sau).
Cdu hinh electron có lu'u y den quy tcic Hundt voi 5 orbital d suy bi6n:
2,11 1,41 ,-2,41 2,11 •-•
jtj x 2 _y2 yz -"LI" z2 XZ xy 4s 2 .

b) Sd cho o lu'dng tee hay gidn dd orbital

M6i orbital khong gian n &toe bidu din bang mat 6 yang (hay mOt
\Tong trop, hoac don gian chi la mat clang ke) goi la 6 Wong tit. Cac orbital clung
phan lop di.toc ve li6n nhau, khac phan lop rai nhau (thiong nhien cling lop).
Trong o Wong tit, mat electron dttoc ky hidu bang mat mai ten. Ndu trong mat
o c6 du 2 electron thi 2 mai ten có Intang ngtioc nhau (len va x111:frig) de chi ro 2
1, 1 ,
electroR nay c6 spin khac nhau (+ - va - -) va dlioc goi la electron cia ghep
2 2
doi,'co spin tridt tieu. Ndu trong mat 6 mai chi c6 mat electron thi goi do la
electron dOc than. Cac electron dac than trong cac o Wong tit có mai ten clung
1
hliong len tren va quy It& deu c6 spin + - , theo do tang spin caa thong la ckic
2
dai. Electron this hai vao o Wong tit d6 gliep doi dttoc kST hidu la mai ten hitang
1
xuong va co spin - - .
2
M6i o Wong tit dttoc ky hidu nlitt sau:
Orbital s: C = 0 = m = 0 ling voi mat 6

Orbital p: C = 1 = m = -1, 0, +1 Lan hist ling voi 3 6 li6n nhau

87
 Py Pz 13,
-1 0 +1
Orbital d: t = 2 = m = -2, -1, 0, +1, +2 Pan luot ling vdi 5 0 lien nhau

d,,, „ dy.2 d„ dxy

-2 -1 0 +1 +2
Orbital f: t = 3 ling vOi 7 0 lien nhau

m = -3 -2 -1 0 +1 +2 +3
Sd (15 o luring tit bieu dien tat ca cac orbital trong met lop n (chit khong
phai chi cac phan lap có electron) va duoc b6 tri theo hang ngang hoac thing
&trig voi trat tit cac phan mile nang luting tit thgp den cao. De don gian, so do
o luting tit thuang chi bieu dien lop orbital hod tri ngoai ding hoac lien ngoai.
Neu dien electron dung quy tic va quy dinh vao tau hinh electron va sd
do o luring tit, to có the xdc dinh &toe be) so- luring rieng cho m6i electron
trong met nguyen tit de the hien nguyen 1ST loai trif cila Pauli.
Dttai day la met s6 vi du:
— Hydro, H (Z = 1): cau hinh electron ls'
sd d5 o Wong tit

is
1
be so- Wong tit n = 1, t = 0, m = 0, s = + —
2
iing NT& orbital toan phan
100+-
2
— Heli, He (Z = 2): eau hinh electron 1s2
sd do o luring tit

is
1
be so luring tit cho electron this nhgt: n = 1, = 0, m = 0, s = + — ,
2
1
va cho electron this hai: n = 1, t = 0, m = 0, s = — —
2,
iing NT& 2 orbital toan phan: yf 1 va yr
100+- 100--
2 2

88
 - Bor, B (Z = 5): 1s22s22p1
so d6 ngang:

2s 2p
so d6 tha'ng
n=2.
n=1

b6 s6 Facing di, hay orbital toan phAn, vi du cho: electron cu6i ding, this
nam theo trinh di6n vao là kg / electron this ttt theo trinh ttt dign vao
21-1+-2
la y 1 / v.v...
2(x1--2
- Oxy, 0 (Z = 8): 1s22s22p4
TL N,
is 2s 2p
b6 s6 Wong tit cho electron this tam (cu6i ciing) chioc dien vao la n = 2, t =
1
1, m = -1, s = - - W/ cho electron this sau theo trinh dien la n = 2,
2 21-1--
1
t = 1, m = 0, s = + - . 1 / v.v...
2 210+-2
- Mangan, Mn (Z = 25): [Ar] 4s23d5
Dang rut gon:

4s 3d
b6 s6 Wong tii cho electron cu6i ding dien vao la: n = 3, t = 2, m = +2, s =
1 1
+- W / cho electron this 20 dien vao la: n = 4, t = 0, m = 0, s = - -
2 3 2+2+-2 2
k41 / V.V...
400--2
c. Sc' ct may electron
Trong sd (16 nay, electron cung &toe ki hieu bang mui ten, ne-u ghep doi
thi htiOng 2 mai ten ngtioc nhau. Thvang chi gift lai cac may thu'6c lop orbital
hoa tri (xem Hinh 2.15).

89
 H: 1s1 He: 1s2 B: 2s22p1
C: 2s22p2
Hinh 2.15. So d6 may electron cila cac nguyen to hydro, hell, bor, carbon

2. HE, THONG TUAN HOAN CAC NGUYEN TO HOA HOC

2.1. Dinh 1114 tun hoan va he th6ng tun hoan cac nguyen to hod hoc
2.1.1. MO so bdng cac nguyen to cong bo. trade Mendeleep
Nhtt ta cla biet mai toi cuol. the Id XIX, d'au the ki XX ngliai ta moi biet
nguyen tit có cau tao phlic tap. Trtioc do, nguyen tit duoc coi la hat vat chat
cuoi cling tao nen moi vat the. Tuy nhien khi da phat hien &toe mot so nguyen
xac Binh &toe khoi Wong nguyen tit cua Chung ngtioi ta da." tien hanh
nghien ciiu moi quan he gifia tinh chat va. kh6i Wong nguyen tit dia cac
nguyen to, c6 gang diia ra bang cac nguyen to phan anh moi quan he nay.
Ngliai dau tier' bat tay lam viec nay la Dobereiner tit nam 1817. Nam 1829
'Ong cong b6 bang b6 ba (xem Bang 2.4).
Bing 2.4. Bang b6 ba cac nguyen to coa Dobereiner
Li Ca P S CI
Na Sr As Se Br
K Ba Sb Te I
Trong moi 136 g6m cac nguyen to c6 tinh chat giong nhau, kh6i tong
nguyen tit cua nguyen to a giiia là trung binh cong cua hai nguyen tit con lai.
Nam 1863, Chancourtois (ngt.t6i Phap) da x6p cac nguyen to có k13.6i
ltiOng nguyen tit tang dan theo dtiOng xoan 6c lion quanh hinh tru. Phan 16n
cac truang hop cac nguyen to có tinh chat giong nhau dtioc xep tren ding mot
&tong sinh.
Nam 1864, Mayer cong b6 he thong cac nguyen to (xem Bang 2.5).
Cling nam 1864, Odling cang cong b6 mot he thong nguyen to.
Nam 1865, Newlands cling cong b6 mot he thong trong do cac nguyen to
ding x6p theo khoi Wong nguyen tii tang cG.n.
Bing 2.5. He th6ng cac nguyen to coa Mayer
- Li (Be)
C N 0 F Na Mg
Si P S CI K Ca
As Se Br Rb Sn
Sn Sb Te I Cs Ba
Pb Bi -

90
2.1.2. Dinh lust tuc2n hoan vet he thdng tuein hoetn cac nguyen to hoet
hoc eau D.I. Mendeleep
Cong trinh cua D.I. Mendeleep (1834-1907), nha hod hoc Nga la day du
va thanh cong hdn ca. Thang 2 nam 1869 Ong cong b6 mot 116 thong g6m 62
nguyen to. Nam 1871 Ong trinh bay chi ti6t dinh lust tun hoan va cong b6
mot he thong g6m 60 nguyen to hoan chinh va hop li hon (xem Bang 2.6). Luc
bay gia nguai ta da phat hi6n &toe 63 nguyen to tren mat Mt va 1 nguyen to
tren mat trai la heli (He). Heli duoc phat hi6n bai Janssen ngliai Phap va
Lockyer nguai Anh. Hai Ong da quan sat duoc mot vach mau yang tren mat
trai nhan nhat thuc toan phan ngay 1/08/1868 qua kinh thien van. Vach mau
yang nay khong Wong Ung voi mot nguyen to nao da bik nen hai Ong dat ten
cho nguyen to có vach mau yang nay la heli. Tieng Hilap la Helios có nghia
thu6c mat trai. He dieing cua Mendeleep chi yang 4 nguyen to da bi6t: xeri
(Ce), 1803; tecbi (Tb), 1843; eribi (Er), 1843; heli (He), 1868.
* NO dung dinh lust tun hoan cua Mendeleep
Tinh chat cac nguyen to va cac hOp chat cUa chUng bien thien tudn hoan
theo chi6u tang dan cua kh6i hiOng nguyen tii cac nguyen to.
Ong cho rang tinh chat cUa mot nguyen to nao do dtioc phan anh qua 4
nguyen to xung quanh (1 truoc, 1 sau, 1 tren, 1 dudi). Dia vao dinh luSt cUa
minh, Ong da tier' doan su tem tai cua mot s6 nguyen to chtia dtioc phat hi6n
khi ay va mo ta tinh chat cila chUng. Ong mo ta ki tinh chat 3 nguyen to cluta
bik, c6 khoi Wong nguyen tii ca 44; 68; 72. Ong dat ten cho chUng Wong ling
la ekanhom, ekabo, ekasilic (eka la giong). It nam sau nguai ta phat hi6n ra 3
nguyen to nay. Nam 1875, nha hod hoc Phap, Lecoq de Boisbaudran phat hi6n
ra ekabo, dat ten la gali (ten cu cua mioc Phap). Nam 1879, hai nha hod hoc
Thuy Dien, L. Nilsol va P. Cleve phat hi6n ra ekanhom, dat ten là scandi (ten
\rung dat co 3 nu& Thuy Di6n, Nauy, Dan Mach). Nam 1886, nha hod hoc Dfic,
C. Wilklen phat hi6n ra ekasilic, dat ten la germani (ten cu cila DUO.
Cac th6ng s6 thuc nghi6m thu &foe tit 3 nguyen to nay ph-CI hop hoac sai l6ch
rat it so voi ski tien doan cua Mendeleep. Thi du khoi Wong nguyen tii tien
doan la 44; 68; 72, con, th4c nghi6m Wong ling la 45,1; 69,7; 72,32.
Nhung phat hi6n nguyen to mai phu hop voi ski tien doan ay da ciing co
tinh chat dung dan cua dinh lust tuan hoan. Do do dinh lust da tra thanh co
so khoa hoc a cac nha khoa hoc vach ra con &tang phat hi6n ra nhang
nguyen to fing \Ted cac 0 con trong trong bang h6 thong cac nguyen to hod hoc.

91
 Bang 2.6. He th6ng tun hoan cac nguyen t6 hoa hoc coa Mendeleep narn 1871

Nhom NhOm Nhom Nhom Nhom Nhom Nhom Nhom VIII chuy‘n
I II III IV V VI VII tie-p tesi nhorn I

H
Cac nguyen to
Li Be B C N O F
Bien hinh
7 9,4 11 12 14 16 19

Day 1 Na Mg Al Si P S CI

23 24 27,3 28 31 32 35,5

Chu ky Day 2 K Ca - Ti V Cr Mn Fe Co Ni Cu

nhat 39 40 44 50? 51 52 55 56 59 59 63

Day 3 (Cu) Zn - - As Se Br

163 65 68 72 75 78 80

Chu i Day 4 Rb Sr (Y \ Zr Nb Mo - Ru Rh Pd Ag

ky hai t 85 87 \887/ 90 94 96 100 104 104 104 108

Day 5 i Ag \ Cd In Sn Sb Te J
108) 112 113 118 122 128? 127
Chu ky

ba
Day 6 Cs Ba - Ca -

133 137 137 138?

Day 7 -

Chu

ky b6n Day 8 - - - - Ta W - Os Ir Rt Au

182 184 199? 198? 197 197

92
 Day 9 ( Au
) Hg TI Pb Bi - -
\197/ 200 204 207 208
Chu ky
nem
Day 10 - - - Th - U
232 240

B202 R206 R206

Oxyd cao nhgt tao
R20 hoac R203 hoac R205 hoac R207 R204 hoac R04
ra muoi
RO R02 R03

Hop chgt chaa

hydrogen nhieu (RH5) RH4 RH3 RH2 RH
nhgt

Mendeleep tin vao dinh luet va du kiOn nghiern nen de xgp dung
this tai nhigu nguyen to có khoi Wong nguyen tit bang nhau, them chi co
truing hop kh6i Wong nguyen tit lon hdn lai ditng triidc nhu sau day:
Co (59) Ni (59)
Ru (104) Rh (104) Pd (104)
Te (128) I (127)
Os (199) Ir (198) Pt (197)

Ski xgp nay sang thg ki XX mdi duoc chiing minh la dung. Do có dung cu
chinh xac hon, xac dinh chinh xac hdn kh6i Wong nguyen tit, kgt qua xac dinh
lai duoc:
Co (58,9) Ni (58,7)
Ru 101,07) Rb (102,9) Pd (106,4)
Te (127,6) I (126,9)
Os (190,2) Ir (192,2) Pt (195,09)

Cac trtfang hop Co triidc Ni, Te triidcI do hien Wong d6ng vi. Cac diing vi
ciia Co dgu có s6 dien tich hat nhan 26,,nh.6 hal s6di8n tich hat nhan cac dong
vi Ni la 27, nhung Co có nhigu dong vi neng hdn c1 Ni do hat nhan nhieu
hat ndtron hon. Truang hop Te va I ciing tuong tU.
* &tang hohn thi8n den he thong tun hoan cac nguyen to hoe hoc
Cting vai nIning phat hi8n ra cac nguyen to mdi va stt tie'n 138 cua khoa
hoc, h8 thong tuan hoan cac nguyen to hod hoc ngay cang duoc hoan thien.
a. Bo' sung nhom 0 (Nhom VIII A)
Nam 1894, J. Rayleigh va W. Ramsay phat hi8n ra argon (Ar) trong
khong khi. Nam 1895, W. Ramsay phat hi8n ra heli (He) d mat det bang each

93
quan sat quang 0.6 cua khi thoat ra khi dun nong quang cleveit chlia uran va
Thori \raj acid. Luc bgy gia ngttai ta chva Oat hien ra cac hdp chgt ciia He va
Ar, nen chung &toe coi la khi trd, khong c6 hoat tinh hoa hoc. Vi tri cua chung
la a ch8 nao trong bang tun hoan? D6 la met van de rdc r6i. Mendeleep coi
chung khong phai la nguyen to hoa hoc nen khong c6 ch8 trong bang. Vi theo
Ong neu la met nguyen, t6 phai the hien &toe tinh chgt boa hoc ciia. minh.
Ngitoc lai, Ramsay tin rang chung phai c6 ch8 trong bang. Cu6i clung Ramsay
de nghi xep chung vao giiia nhom halogen va nhom kim loaf kiem. The la
nhom 0 (hay nhom VIII A) xuat hien. Ramsay con tien doan gitta He va Ar
phai co met nguyen tit khi trd nita. Ong clung vOl Ong tac vier' caa minh la M.
Travers dor hoa 16ng khong khi, torch phan doan, trong ding nam 1898 phat
hien them 3 khi trd niia: krypton (Kr), neon (Ne) va xenon (Xe). Tieng Hi Lap,
kryptos la an gigu; neon la mai; xenon là xa la. Sang nam 1899, E. Rutherford
cling Ong tac vier' cua minh dor phat hien ra khi trd c6 tinh ph6ng xa la radon
(Rn). N6 1a san phdm phan ra tit nhien cua quang radi.
Ca 6 khi trd deu c6 trong khong khi, nhvng ham luting rat nh6. 1m3
khong khi chita 9,8 lit Ar; 18m1 Ne; 5m1 He; lml Kr; 0,08m1 Xe. Con Rn chi
chiem 6.1048%V. Ham litong it va tinh trd cua cac khi nay là nguyen nhan cua
viec phat hien cluing muon.
b. Torch nhom theinh phan nhom
Nam 1905, sau khi nghien citu tinh chgt cua cac nguyen to ding nhom,
Verner thgy met s6 nguyen to co tinh chgt giong nhau, nhitng nhung tinh chgt
nay lai khong thgy coo nhung nguyen to con lai. Ong de nghi torch mof nhOm (tit
nhom I tai VII) trong bang cila Mendeleep thanh 2 nhom: chinh, phi hay A, B.
c. Phdt hien cac nguyen tophong xa. Hain thanh ho Actinid
Viet tim ra cac nguyen to hoa hoc phi thuec nhieu vao ham litOng, da.ng
ton tai trong vO trai dgt va tinh chgt cua chung.
Trong lich sit tim ra cac nguyen to hod hoc thi nam 1896 la cai mo'c quan
trong. Nam ay, nha bac hoc Phap, Becquerel Oat hien ra tinh ph6ng xa tit
nhien cua cac hop chgt cua uran. Sau khi nghien citu ki hien Wong phong xa
tti nhi8n, ngvai ta thgy c6 2 loai nguyen tit (clOng vi). M'Ot loai c6 hat nhan ben
yang. DO la nguyen tit ciia cac nguyen to c6 s6 this tti 5 83 (tit 1H tai 83Bi). Cac
nguyen to nay ditoc goi la cac nguyen to ben. Met loai c6 hat nhan khong ben
yang. Hat nhan nguyen tit loai nay tti phan ra Oak ra cac hat anpha (a) la
hat nhan cua heli, 2 He ; hat beta (13) la electron va tia gamma (-y) la bitc xa
dien tit. Hien to phong xa tii nhien chinh la sv phan ra nay. DO la nguyen
tit ciia cac nguyen to c6 s6 this tti ?_ 84 (tit 84 Po v6 sau). Trong s6 cac nguy8n to
phong xa tit nhien, ca biet c6 2 nguyen to co s6 this tti < 83. D6 la techneti
(43Tc) va promethi (81Pm).
Cac nguyen to 136n &toe phat hien som do cluing khong tit bien mgt nen
ham Wong trong v6 trai dgt cua chiing du lOn. Hai nguyen to ben ditOc phat

94
hien muon man la hafni (72 Hf) vao nam 1923 va rheni (75Re) vao nam 1925, do
ham hldng cua chung qua it, viec tach cluing khOi qudng qua kh6 khan.
Cac nguyen to phong xa tu nhien, hau het nguyen tit clia chUng c6 chu ki
ban huY) (T) nhO hay cue nhO, thi du 2815 At c6 T = 10-4s, nen cluing sinh ra 14i
bie'n mat ngay. Vi the ham Wong cua chung trong vO trai ddt rat it, thdm chi
chi hang gam. Thi du, theo tinh toan cua cac nha khoa hoc thi 61Pm c6 780
gam, 87Fr c6 24,5 gam. Rieng 2 nguyen to uran (92U) va thori (90Th) tuy ph6ng
xa tu nhien nhting gom cac nguyen tit c6 chu kST ban huY' T lon nen ham Wong
cila cluing lon. Bai the chUng dttoc phat hien. sdm bang pluton.g phap hod hoc
thong thltOng nInt viec Aft hien cac nguyen to ban. Uran &toe phat hien nam
1789 tit qudng uran va thori dttoc Aft hien nam 1828 tit qudng thorisilicat.
Tinh phong xa tu nhien cua chling la diau bi mat hoan toan, mai -UK nam 1896
mdi bi Becquerel Aft hien d6i vdi uran. Noi ti.6 Becquerel, ba Marie
Sklodowska (1867-1934) cling cheing la Pierre Curie (1859-1906) da di sau
nghien citu hien tutting phong xa tu nhien, xay dung piutong phap do dO phong
xa de xdc dinh nguyen to phong xa. Ong ba da phat hien ra 2 nguyen to phong
xa tu nhien la poloni (84Po, nam 1898) va radi (88Ra, /lam 1898) dau c6 mat
trong qudng uran. Theo chi dan cua Ong ba, nam 1899, nha hoa hoc Phap, A.
Debierne phat hien ra nguyen to actini (89Ac) tit qu4ng uran.
Nam 1918, nguyen to phong xa tu nhien protactini („Pa) dlioc phat hien
tit qudng uran.
Cac nguyen to phong xa tu nhien con lai dau dttoc phat hien sau nam 1934.
Nhd lai, nam 1919, Rutherford thuc hien phan ling hat nhan ctau tien
tren the gidi. Trong phan ling nay, hat nhan nguyen tit nits ban, bi6n thanh
hat nhan nguyen tit oxy ban:
4
2 He + -+ '78 0 + ;13
Den nam 1934, Irene Curie (con gai cua Ong ba Curie) cling chOng la
Fredric Joliot phat minh ra hien Wong phong xa nhan tao, khi thuc hien phan
ling hat nhan. Ong ba dung dan a ban bia 1237 A1. Lan nay san pham la d(Ing vi
khong ban 31°5 P , tu phan ra thanh dOng vi ban VI Si . Phuong trinh phan ling
nhu sau:
0p +
24 He + 27
13 Al —> 5 on
30 p 30 + 0
15 14Si
" 1C

DcIng vi sinh ra nhan tao nhti 13°5 P chide goi la do'ng vi ph6ng xa nhan tao.
Hien Wong de3ng vi phong xa nhan tao tu phan ra thanh do'ng vi khac dttOc goi
la hien Wong phong xa nhan tao.
Phat minh nay ma &tang cho viec tong hop hat nhan nhan tao cac
nguyen to mdi.

95
 De c6 dan manh, nha bac hoc My, E. Lawrence phat minh ra may gia t6c
hat xyclotron. May nay hoat d6ng dau tien tren hanh tinh cluing ta vao nam
1936 trong Truang Dai hoc Tong hop Califonia d thanh ph6 Berkeley nit& MY.
NhO may nay ma lan dau tien con nguai da thanh cong trong viec didu the
nhan tao nguyen to phong xa techneti (43Tc) vao nam 1937. Technique c6
nghia la ki thuat. Tc sinh ra khi nha vat 11 Y, E. Segre dung dan 21 H da dttOc
gia to'c hod ban pha nguyen tit cita nguyen to ben ben canh la molypden
(42Mo). Thttc hien tildng tU, nam 1940, Segre lai thanh cong trong viec tao ra
nguyen to phong xa tu nhien astatin (85At).
Nguyen to ph6ng xa ttt nhien promethi (61Pm) ditoc nguai ta tach ra tit ba
phan huY' hat nhan trong lo phan ling hat nhan vao nam 1945. Nguyen to
phOng xa tti nhien franci (87 Fr) do ba. M. Perly nguai Phap phat hien ra khi
nghien matt su phan ra cita 289 Ac .
Cac nguyen to tit 93 toi 103 (cac nguyen to sieu uran) deu ditOc tong hOp
hat nhan nhan tao titong tu nInt 43Tc. D6 la 93Np, 1940; 94Pu, 1940; 95Am, 1945;
96 Cm, 1944; 97Bk, 1950; 98Cf, 1950; „Es, 1952; 100Fm, 1952; 101Md,
1955; 102No,
1963-1966; 103 Lr,1961.
Nhu \Tay, t6i. nam 1966, ho actinid tit nguyen to 90 toi 103 da duoc phat
hien day dia.. Tie-p theo là nhang nguyen t6khong thu6c ho nay naa. Nguyen to
this 104 la kusatovi (104 Ku), this 105 la ninxbori (105 Ns) lan loot dtioc t6ng hOp
vao nam 1964 va. nam 1970. Sau nam 1970, ngitoi ta con tang hop tie'p ditoc
cac nguyen to 106, 107, 108, 109, 110.
Nhin vao cac bang wan hoan cac nguyen to ta thay c6 sit khac nhau vg
kST hieu va ten cac nguyen to tit this 104 vg sau. Si di nInt vay do c6 sit tranh
chap quygn tac gia va quygn dat ten cac nguyen to ay gifta mot s6 trung tam
khoa hoc tren the gioi. De dep tinh trang nay, he.)i nghi cita Hiep h6i qu6c to
Hod hoc co ban va ling dung (IUPAC) din ra tai Geneve vao thang 8 nam
1997 da ra guy& dinh dat ten cac nguyen to ay nhu sau:
Nguyen to 104 ten la rutherford, kST hieu la Rf. D6 la ten nha bac hoc
Anh da phat hien ra hat nhan nguyen
Nguyen to 105 ten la dubnium, ky hieu la Db. D6 1a ten dia danh Nga
ndi c6 phong thi nghiem Dubna.
Nguyen to 106 ten la seaborgium, ky hieu la Sg. D6 la ten nha bac hoc
lanh dao phOng thi nghiem Berkeley (a My), ndi da t6ng hop dUcic nhiing
nguyen to sieu uran. Day la truang hop dau tien tren the gi6i, ten dia mot nh4
khoa hoc dang con song &toe lay de dat ten cho nguyen to hod hoc.
. Nguyen to 107 ten la bohrium, ky hieu la Bh. D6 la ten nha bac hoc Dan
Mach, ngitai da c6 cong dat nen mang cho ly thuye't can tao nguyen
Nguyen to 108 ten la hassium, kSThieu la Hs. D6 la ten dia danh Hass a
Disc ndi c6 trung tam nghien ciiu cac nguyen to sieu nang.

96
 Nguyen to 109 ten la meitnerium, kS7hieu la Mr. D6 la ten nha bdc hoc Disc,
ngtiai cong tic vai Otto Hahn trong ding trinh phan tIng phan chia hat nhan.
Tit nguyen to 110 - 118 tam thai dat ten theo he thong cdc con so (nil la
0, un la 1, bi la 2, tri la 3, quad la 4, ...), them tie-p vi ngit ium. Nhti vay:
Nguyen to 110 &toe mang ten la ununnilium (Uun).
Nguyen to 111 dtioc mang ten la unununium (Uuu).
Nguyen to 112 thicic mang ten la ununbiium (Uub).
Nguyen to 113 dtioc mang ten la ununtriium (Uut).
Nguyen to 114 chide mang ten la ununquadium (Uuq).
Nguyen to 115 &foe mang ten la ununpentium (Uup).
Nguyen to 116 (=bloc mang ten la ununhexium (Uuh).
Nguyen to 117 chfoc mang ten la ununseptium (Uus).
Nguyen to 118 du6c mang ten la ununoctium (Uuo).
ioi day la tom tat thai gian phd.t hien ra cdc nguyen to hod hoc.
Thai thliong co phat hien 9 nguyen t6: C, S, Au, Ag, Cu, Fe, Pb, Sn, Hg.
Thai trung c6 phat hien 5 nguyen t6: Zn, P, As, Sb, Bi. Trong the ki XVIII phdt
hien 20 nguyen t6: Co, Ni, Pt, H, N, 0, F, Cl, Mn, Ba, Sr, Be, Cr, Mo, W, Te, Y,
U, Ti, Zr. Tit dau the ki XIX tai nam 1869 phat hien 29 nguyen t6: Na, Li, K,
Rb, Cs, Mg, Ca, B, Al, Tl, In, Si, Se, La, Ce, Tb, Er, V, Nb, Ta, Br, I, Pd, Rh,
Os, Ir, Ru, Cd, Th. Tit nam 1870 den dau the ki XX phat hien 22 nguyen t6:
Ga, Sc, Ge, He (1868 a mat trai, 1895 mat Mt), Ar, Kr, Xe, Rn, Pr, Nd, Sm,
Gd, Dy, Yb, Tm, Ho, Eu, Lu, Po, Ra, Ac. Trong 70 nam dau the ki XX phat
hien 20 nguyen t6: Pa, Hf, Re, Tc, Pm, At, Fr, Np, Pu, Am, Cm, Bk, Cf, Es,
Fm, Md, Mo, Lr, Ku, Ns.
Ngay nay cluing to c6 h8 thong tun hoan cdc nguy8n to hod hoc (xem
Bang 2.7).
d. Cdu too bcing tucin hoan ccic nguyen to hod hoc
Bay chu Chu ki 1 do 2 nguyen to.
Chu ki 2, 3 de'u c6 8 nguyen to.
Chu ki 4, 5 d8u c6 18 nguyen
Chu ki 6, 7 d8u c6 32 nguyen to. NhUng chu ki 7 chtfa day
du, chic chin se phat hien tie-p cdc nguyen to ngay nay chia biet.
Tdm nhom, moi nhom chia lam hai phan nhom A, B.
Nhom VIII chia ra VIII A va VIII B c6 3 cot.
Hai day dti6i bang la ho lanthanid va actinid.

97
 < = °
o c
, -0ocu
,..., 2
.. g ' O a, '''. •0.- cr c't6 ,., , . o
Co co
,..,
"
- 8
csj °,i = 2w .cp,-- -9,-Z a)z .-co P3 < < co, Y
af
> Lc, 72 >4 x cot: L c4
a,
...... m
, -J
< 4i
= 4,4
41 cri
c- a 3 - .-
----.. cd o
=.
> a, U- II
o r--. --
..- C.) i..) LO t- o
L- CO.?-
co CO co u-, .6 — .° LO '.. 'C
2 co < :cC
‘‘'
6 °
0) 4.1 _c c ■
< 6
-6. _ )7
.
,
rc, C )...
= ..... 05
cp -a, `'-:
.... = 8 8
o
> co UV 0 .-- U) J = Cc,
-I .0 V) CO 0 I-ID)---
•4- .... cv a) ,co2-• 0
u. 0_ rn
m o m o m
m
a
m
^- -c
. ."..; )- c
o ..)
o,
o
-i a - o_ 0, c ,-; E s S' a, E
< _ o ‘-',
0
o
C V
,-- cn cl" - .0 '-.=
—
a CD F-
> N Z = L << U) < com m C
6 .8 °
c 6
o
o o
o ra T-7- .
1.-- _c
< (., oJa
c., g.,' c., A a, o •-
a c6 0
,a, o
c, •;::
>
— CO C) 0 •■-• U) en- Cc) CD 00 co co i-
' '-a.
co O. (..) 0
C)

< m co
6. E 6
O ..:, 6 •- .'=,
0- E
- _
lc UJ CO
6, —_..„
..- ...
.. Z
,-4,
c0 CD 0 .74' =
.-- ro o
r-- =
-C c0 I- I-
sfI3 m .; .
0
4.1
- E
M m ..›.. c
CO ,c, ,_ E - -,-, '5 .c, n, D .DI
..- .0 CO ..." 0 c5 --S-.i-C0
= CO NI Y -a- C.) (-) co P. c
.
co__, _c
E
c., 0, ,. co
2g ,,,, LL
m cr, = .0
= r-- 0
ca. a, ad = gs
CY) — cs, 0 ca -4- < co r-- 8 < > E
C
oct
cr, a)
6 6
C_,
a) g co ...C2 F-
to
- '5
La-
o .- _,‘ co 6 CO
•-o, 0C
a5

-0 CO CO = E.
6, = Z .6 CL o- r- O.....
CL.° .T.-- = n (a
C
-ft5 6 a
z
0 2 ° „, g
-C ori o-
COC " ,i 4Q).
C `6', E "g
.4Q)
03 3 ti,_ 6, E
0) .8 6
*E 2 '5.
C ,.0 -a- M = co 0 o E
0 0
"0 > cv LL. cr) ..4r te CC r- — (0
=m LLJ w
..0 .=,
g
6
.
03 6
g - a,-, a
- E 0
4Q). CO 0) co- (6
.... cs,
c c .
0 ro (I) C ..
= 0
> co 0 a, 0
NA M -a- I-- I- r-- CC cc o_ ao a
I-.
_c
0,. x ,a) c, c.
o
ci
a
0) CO I; ca .0•. ro "a
E ari 2 a I
C
> ,N` ,-
C..)2 c-s,3- 20 M
0 , 0 1.--
...- >. 0 8 01 cop,
..... U) cn Ca)
FQ3 > >,
m Z a Fi a 0)
6 .=
=
co a C
Cf3 6
o'er =
01 ...._.7 > .4- vC. Z 0 .., I- .
.03 1-
CO LO j=, 13 o_
> CV N- - CI 0 'CU
Rutherford

_
88226,025489** (227) 104(261)

. .1 co -.' o
a)
0-
CO ...: c •-- r- c CO
D

>— 0 CV = x
7 Fr Ra Ac Rf

C - i7 1 N iv fU
6 6, 0
C
,6 6 c
co
Actini

03 c ce 6
(-1 a) .. .=
..... ,•co
m. fa '8
n3
CV U) COo c.,
o.,
).- ›- Lc V- -I -I
o co
,... 6, 3
I; ni. 0 6 c.:-
6 = ,..., c
7c ,...., cr, CV 'C
< 0
Ran

...cr.....
W ..'.
.•-
r° 0 .a3 C.3
a, CO ''' 0 ..... 0
CO
= au CO 4- cc .a c, ...., 4, U) C.7) LO cu CO a, F F-
3785,4678

°-' 6,
87(223)

-A
Rubidi

6
Franxi

- 2 .6 "
6 •r.. " 6,
=
Rb

< ,.._ fa -}74 LO a).1

fa .17 U
xT m-1 -51 —zz c'sY1', co C-) X ea
E
.0
.c
0• 0.
e- C4 VI .0' 10 CO
0
•
C.) .)c • •

98
 e. Nguyen nhtin caa dinh luCit tutin haat
Tac gia cua dinh 1u4t tun hoar' (Mendeleep) nam 1889 con vigt: "cluing
toi khong hien nguyen nhan cua dinh lust tuan hoan". Si di nhu \Tay vi dinh
luSt cua Ong moi dua tren cd sii thuc nghiem, chtta c6 cd set li thuyet. Luc logy
gia nguai ta chua biet nguyen tit Om 'có hat nhan va electron. Nguyen nhan
nay chi dude biet re sau khi nguai ta phat hien ra electron (1894), hat nhan
nguyen tit (1911), xay dung nen thuyet cSu tao nguyen tit trong hai thap ki
d'au ciia the ki XX.
Nam 1895, Rdnghen phat hien ra tia Roentgen khi nghien citu tinh chSt
cua tia am cuc. Tia nay chinh la bite xa dien tit. Tdi nam 1912, Moseley nghien
cliu met each c6 he thong quang pho tia Roentgen thu dude tit cac d'Oi am ctic
lam bang cac clan chat khac nhau. Ke't qua cho thay so song dm met vach nap
d6, thi du vach a trong day xac dinh nao d6, thi du day K thay dOi deu dan
theo su tang dan cUa so this to nguyen to (xem Hinh 2.16).
v-7 .104 A

2—
1,5 —
1—
0,5 —
1 I I I 1 I >
10 20 30 40 50 60 So thin to nguyen to

Hinh 2.16. Su phu thu6c cOa s6 song vao se; tha ty' nguyen t6

Phudng trinh bieu dign su phu thuec cua so song vao so bleu nguyen tit la:
= a (Z — b) (2-58)

day y = so song.
a, b = cac hang so thtic nghiem doi voi tilng vach xac dinh cim day quang
pho Rdnghen xac dinh.
Z = so hieu nguyen tit = sof dien tich hat nhan.
Theo (2-58), bang thttc nghiem do s6 song, tinh dude Z tticing itng. Hod
ra s6 this to cac nguyen to trong bang tun hoan bang s6 dien tich hat nhan
cua nguyen tit cac nguyen to tttdng Ung. Thanh thit dinh 1114 tun hoan dude
phat bieu dua vao dien tich hat nhan, thay cho dtta vao khoi Wong nguyen tit
truoc day, nhtt sau: tinh chat caa cac nguyen to va ccic hdp chat caa chang
Nen thien tucin ham theo chieu tang dein caa so dien tich hat nhoin nguyen
cac nguyen to:

99
 Khi s6 dien tich hat nhan tang tit 1 len thi s6 electron ciing tang tit 1 len
do trong moi nguyen tit s6 electron = s6 dien tich hat nhan. Cdc electron phan
b6 vao cac lop, phan lop orbital mot cach tun hoan. Si tun hoan vg phan b6
nay la nguyen nhan cua sit tun hoan vg tinh chat cilia cac nguyen to va cac
hop chat cVa chung. Trinh tit sap xe'p cac nguyen to trimg voi trinh tit lam day
electron vao cac lop, phan lop orbital. Thanh this c6 the not being tucin haat
cac nguyen to la dnh cUa su' phan bo- electron trong cac nguyen tee. Neu thay
cac ki hieu nguyen to hod hoc bang cac eau hinh electron cila nguyen tit ta c6
mot bang tun hoan ye cat' hinh electron tildng iing; trong d6, s6 Wong tit
chinh n = so this tit chu ky = s6 lop electron = lop nang Wong cao nhgt cua
nguyen to (xem Bang 2.8).
Bing 2.8. B6ng tun hoan ve cgu hinh electron cac nguyen tit

Phan
hem VIII
IA II A III B IV B ... VIII B IB II B III A ...
Chu A
kji

1 1s' 1s2

2 2s1 - 2 2p1 - 5 2p6

3p1 - 5
3 3s1 - 2 3p6

4 4s1 - 2 3d1 3d2 3d3 - 9 3d1° 4p1-5 4p6

5 5s1 - 2 4d1 4d2 4d3 - 9 4d1° 51)1-6 5p6

4f, - 14
6 6s' - 2 5d' 5d2 5d3 - 9 5d19 6p1-5 6p6
(Ho lanthanid)
5f, - 14
7 7s1 - 2 6d1 6d2 6d3 - 9 6d1° 7p1 -
(Ho actinid)

Vay chung ta da hieu nguyen nhan dia dinh luat tun hoan la gi.
2.2. MOt so tinh chat tun hoan cua cac nguyen to
2.2.1.Tutin hoan ve ceiu hinh electron
Bang 2.8 da neu dai ctldng vg sit tuan ham nay. C3 day cu the hon.
a. Cgu hinh electron cac nguyen to chinh (nguyen to A, nguyen to s, p)
(xem bang 2.9).

100
 Bang 2.9. Cgu hinh electron cac nguyen to A

Phan
nhom
IA IIA IIIA IVA VA VIA VIIA VIIIA
Chu kji
1 H 1s' He 1s2
Li Be B C N 0 F Ne
2 •
2s1 2s2 2s22p1 2s22p2 2s22p3 2s22p4 2s22p5 2s22p6
Na Mg Al Si P S CI Ar
3 3s23p, 3s23p2 3s23p3 3s23p4 3s23p5 3s23p6
3s1 3s2

K Ca Ga Ge As Se Br Kr
4
4s' 4s2 4s 4p 4s 4p 4s 4p 4s 4p 4s 4p 4s24p6
Rb Sr In Sn Sb Te I Xe
5 5s2 5s25p, 5s25p2 5s25p3 5s25p4 5s25p5 5s25p6
5s1
Cs Ba TI Pb Bi Po At Rn
6
6s1 6s2 6s 6p 6s 6p 6s26p3 6s 6p 6s 6p 6s26p6

Fr Ra
7
7s1 7s2

Electron hod tri la electron a tham gia vao si hinh thanh lien ke't hod
hoc. D6i voi nguyen to A, cac electron ldp ngoai cling nsanpb ld cac electron hod
tri. (a + b) = s6 this tai nhom cua nguyen to. Cdc nguyen to cling nhom có cling
cdu hinh electron nen tinh chat cda chdng nhau (lap lai).
b. Cdu hinh electron cac nguyen tdchuye'n tie-p (nguyen to nguyen to d, f)
(xem Bang 2.10 Nig Bang 2.11).
Bang 2.10. Cgu hinh electron cac nguyen to d
Phan
nhOm IIB
IIIB IVB VB VIB VIIB VIIIB IB
Chu k9
4 Sc Ti V Cr Mn Fe Co Ni Cu Zn
Y Zn Nb Mo Tc Ru Rh Pd Ag Cd
5 d4s1 d6s1 d7s1 d8s1 d9s1

La Hf Ta W Re Os Ir Pt Au Hg
6 d9s1
d4s2
7 Ac Ku Ns 106 107 108 109 110
Cgu hinh d's d2s2 d3s2 d5s, d5s2 d6s2 d7s2 d8 s2 diosi d10s2
electron 1

101
 Cac nguyen to d c6 cgu hinh electron (n - 1)dxns2 \Ted x = 1, ..., 10; n 3 do
n = 3 med bat dau c6 trang thai d. VI mite nang Wong ns va (n - 1)d sit nhau,
hdn niia cdu hinh nti'a bao hat hay ba- o hat phan lOp d la cdu hinh Mit vu'ng
nen ta thgy c6 cgu hinh d5s' va es' a Cr, Mo va a Cu, Ag, Au ttiOng
Do c6 cgu hinh electron tudng to nen cac nguyen to d ding phan nh6m c6
tinh chgt tUdng ttf.
Bang 2.11. Cgu hinh electron cac nguyen to f.

Ho lanthanid 58Ce Pr Nd Pm Eu Gd Tb Dy Ho Er Tu Yb 71Lu

Ho actinid 89Th Pa U Np Pu Am Cm Bk Cf Es Md No 103Lr

Cac nguyen to f c6 cau hinh electron (n - 2)f'(n - 1)dins2. Ho lanthanid c6

n = 6, ho actinid con = 7; i = 1, 2, ..., 14 (trong ca hai ho).
Nhin chung trong ciing met ho, cgu hinh electron cila cac nguyen tit chi
khac nhau ve s6 Wong electron o phan lOp f thuec lop this 3 tii ngoai vao. VI
vay tinh chdt hod hoc cUa chUng giong nhau va ho lanthanid giong lanthan
(57La), ho actinid gi6ng actini (89Ac). Do do c6 khi ngtiai ta tinh ca lanthan vao
ho lanthanid va actini vao ho actinid. Luc nay moi ho c6 15 nguyen to.
2.2.2. Tniin ham a ban kinh nguyen try'
- Kich thuoc orbital va kich tint& cua nguyen tit khong duoc xac dinh met
each chinh xac. Thuc te", ngttdi ta do khoang each gala hai hat nhan cua
hai nguyen tit giong het nhau va nam canh nhau, ban kinh nguyen tit
dude xac dinh bang met nUa khoang each do. Co hai dinh nghia ph6 bien:
Ban kinh kim loai la met nfia khoang each gitta hai hat nhan cua hai
nguyen ta kim loai ngay canh nhau trong tinh the kim loai.
Vi du, trong tinh the nhom kim loai, khoang each giiia hai hat nhan gan
nhau nhgt do dale la 286 pm. Vay ban kinh nguyen tit Al bang 143 pm.
Ban kinh tong hod tri la met 'lila khoang each gifia hai hat nhan deng
nhaa cua hai nguyen tit c6 lien ket Ong hod tri.
VI du, trong phan tit Bre, khoang cach giita hai hat nhan nguyen tit là
228 pm. Vay, ban kinh nguyen tii Br bang 114 pm.
•Nhung gia tri ban kinh tim thy theo cach nay thuang nho hdn gia tri
mong ddi tii &tang vin 90% tong xac slat tim thgy electron; bai vi khi cac
nguyen tii hinh thanh lien ket, may electron cUa chUng the phu nhau. Tuy
nhien, nhiing gia tri nay rat hilu ich de me ta khuynh htiong hien d6i cua kich
tint& nguyen tii. Ti Hinh 2.17 ta c6 the thgy nhang xu Intong bien thien tuan
hoan cUa ban kinh nguyen tit theo chu kSr va nh6m nguyen

102
 IA VIII A
H He 31 1
•
111 A IV A VA VIA VII A I

Ili 1521B. 1121 5IC 17 1,1 0 Ne

• •
•
Na •as Mg 140 Al 143 SI 1
I
P S o3 CI 100 At 88

111,, 4110 • * *

K F-Ga 135 Ge 132 As 20 Se try Br '14 1Kr 112 ,

• •
Rb Sr 21 5 In 157 Sn /43 i Sb 143 Te I t 1 Xe 131
L
• • lei• 100
5 Ba T1 ,117, PbRI 100 Pa 15 I At Rn;14%

Frz Ra :2'
:4110 ovio 4.1010

Si B IVs VU VI B VII B 113 118

Sc is: TI 147 V 134 Cr 123 Ian '27 Fe 126 C0125 Nr r24 Cu 128 Zn 134

• • • • • • 0 • • •
ao Zr 160 Nb - 45 MO 139 To 136 Ru 134 Rh '34 : Pd 137 Ag 144 <Cd '5,

1111 • • • • • • 1 • • •
La 181 HI 159 la '45 W 139 Re 137 OS 135 Ir 136 , PI 135 Au 144 Hg '51
6
• 9 • • • • • }• 0 .., 40
Hinh 2.17. Ban kinh nguyen tit (pm = 10- 2 m) cila cac nguyen to
nhorn chinh A va chuydn tip B.
- Khi di ngang qua di trai sang phai mot chu ky, ban kinh nguyen tii not
chung giam.
D6i voi nguyen to thu(ic cac phan nhorn chinh A, ban kinh nguyen tit
giam dgu. BC1i vi, electron clang din vao ding mit lop ngoai, chin nhau it,
trong khi ski chin bai cac electron lop trong kh8ng thay d6i; theo do Z* tang
dgu va but manh electron lop ngoai, ban kinh nguyen tii giam dgu clan khi
ngang qua mot chu kST. Trai lai, doi voi cac nguyen to chuyen tigp B, phan ldp
electron d (hoac 0 ben trong clang &toe lap day nen chan manh hic but dm hat
nhan deci voi electron lop ngoai; theo do, ban kinh nguyen di on dinh, it thay
d6i khi ngang qua mot chu kST. Vi du, V (Z = 23) va Zn (Z = 30) có ding ban
kinh, mac du chung thing d gan dau day va cu6i day chuyen tigp cua chu kST 4.
- Khi di doc tren xuang mot phan nhorn chinh A, ban kinh nguyen tee
tang cle'u dein; bai vi s6 lop electron ben trong tang gay hieu ling chan rat
manh len lOp electron ngoai ding, mac db. dien tich hat nhan ciing tang
theo. Tinh toan cho bigt, Z* chi tang rat it nen anh htiang cling rat nho

103
 den electron kip ngoai; vi vay bdn kinh nguyen tit tang deu nlut ta mong
doi ling vii cac gid tri cao hdn cua n.
Tuy nhien, khi di tit tren xu6ng trong cac nhorn B, ban kinh nguyen tit
chi tang chdm tit nguyen to chu kS7 4 Mil nguyen to chu kST 5, nIning hdu nInt
khong tang tit nguyen to chu kST 5 sang nguyen to chu kST 6. LST do la cac
nguy8n to chuye'n tie'p chu kS7 6 c6 phan lop electron f 6 sau phia trong dang
xay dung &A gay hi8u ling co f gdn nhu can bang vii su tang cua n [Hi8u ling
co f la hi8n Wong electron duoc phan b6 dOc than tren cac orbital f d xa nhau,
chAn nhau it nen bi hat nhan but manh va co 'ai].
* Bdn kinh ion la Kt tiOc Wong kich -antic cila cation va anion thong qua
sit do Wong trong tinh the hop chdt ion. Tit moi quan 118 gift Z* va kich thuoc
nguyen tit, ta ding c6 th8) du doan kich thuoc ion so vOi kich thuoc nguyen tit
tao ra chUng. Khi mot cation hinh thanh, cac electron lip ngoai bi mat di, ke't
qua la luc ddy Oita cac electron giam, hat nhan se keo cac electron con lai gdn
no hen, kich thudc cation vi vay luon be hdn kich thuoc nguyen tit Wong Ting.
Neu nguyen to tao ra nhieu cation, di8n tich cation nao tang lin, kich thudc
cua no tang be.
Khi mot anion duoc tao ra,cdc electron duoc them vao lop ngoai; sit tang
lift ddy la nguyen nhan lam cho electron lop ngoai cti ngu trong khoang khong
gian lin hen. Do do, anion Ian c6 kich thuOc lin hen nguyen tit sink ra no.
Co th8) suy ludn, kich thudc cation ya anion ding ki6u deu tang khi di
xu6ng mot nhom bdi ding nguyen nhan nhti d6i vOi kich thudc nguyen tit: do
so lip electron tang.
Ngang qua tit trdi sang phai mot chu kS7: kich tint& cation giam mot
Wong nh6, nhung kich thudc anion thi tang dOt bie'n so vii nhang nguyen tit
cua cac nguyen to tao ra
2.2.3. Tuein ham ve nang luring ion hoci (I)
- Nang Wong ion hod la nang luting can thi6t de2 tach mot electron ra khi
nguyen tit hoc ion 6 th6 khi:
X (k) -› (k) +
Den vi nang luong la kJ khi tinh cho 1 mol nguyen tii, la eV khi tinh cho
1 nguyen tit.
Nang Wong ion hod cila moi electron cho ta bie't nang Wong cila orbital
trong nguyen tit ma tit d6 electron duoc torch ra.
Doi vii mot nguyen to, ne-u nang Wong de torch electron this nhdt (tit
nguyen tit a trang thdi co ban) la 11, torch electron this 2 la 12, torch electron this
3 la 13... thi trinh tit luon là I, < 12 < 13... do m6i electron bi torch ra sau la tit
mot ion c6 dien tich &tong ngdy tang lin hen.

104
 Vi du, cdc nang Wong ion hod doi voi nguyen di Al d th4 khi nhv sau:
Al (k) —> Ar (k) + e I1 = 580 kJ/mol
Al+ (k) —> Al2+ (k) + e 12 = 1815 kJ/mol
Al2+ (k) —> M' (k) + e 13 = 2740 kJ/mol
Al3+ (k) —> Al' (k) + e I, = 11600 kJ/mol
Nang lacing ion hod this nhat (II) la nang Wong de tdch electron 3p c6
mitt nang Wong cao nhat trong nguyen tit (Al c6 cau hinh electron: [Ne]
3s230.
Si tang tit I, --> 12 la hop 1Y, vi nang Wong 12 dung de tach electron 3s
c6 mitt nang Wong thap hdn va tit ion Alt Co sit nhay mac nang Wong lon tit
13 —> 14 , vi ngoai ly do tang manh din tich &tong a ion Al', vi"0 tich electron
this tai tit loi electron (A13+ c6 tau hinh: 1s22s22p6) bdn vung can tieu ton mot
nang Wong lon clOt bidn.
Gid tri nang Wong ion thii nhat cho cdc nguyen to a 5 chu ky clau trong
Bang 4' thong tuan hoan duoc chi ra d Hinh 2.18.
- Khi di tit trcii sang plied mot chu 14, nang luvng ion hoci tha nheit tang
len. Nguyen nhan d chi)", cdc electron bi tich ra c6 ding s6 Wong tit chinh
n, Chung chin nhau khong nhieu, nen khi Z tang thong lien ke't chat the
hcin voi hat nhan tit trai sang phai cua chu ky (bidu hidn d bin kinh
nguyen tit giam), c6 nghia la nang Wong ion hod tang.
Tuy nhien, nang Wong ion hod con phu thuOc vao cau hinh electron. Vi
vay to thay c6 nhfing gidn doan gid tri I1 khi ngang qua mot chu ky. Chang
han, nang Wong ion hod giam tit Be (1s22s2) cldn B (1s22s22p1) la do electron
trong AO-2s chin hidu qua tdi electron 2p, tao luc day lon, nen electron 2p cUa
B clifoc tich ra de bon so \Ten tich electron 2s (c6 nhidu thii gian d gan hat
nhan hon) cila Be. Hoac sit giam nang Wong ion hod khi di tit N (1s22s22p3)
ddn 0 (1s22s22p4) &toe giai thich: d N, moi electron 2p chidm mot orbital rieng
Khi them 1 electron vao 0 thi 1 orbital 2p se chifa cap electron ghep doi.
Luc day gifia nhung electron ghep doi lam cho electron kia de clang tich ra,
nghia la I1 cUa 0 nhO hdn II cila N.
- Khi di tit tren xudng du'ai trong mot nhom, nang lacing ion hod MU' nheit
gicim xuang. Nguyen nhan la khoang cdch tit electron den hat nhan tang
dan (khi n tang) nen electron de dang duoc tich ra.

105
 Chu 14 Chu 14 Chu 14 Chu kt Chu 14
2 3 4 5
2500
He

2000

1500

1000

500

10 18 36 54 86
huliu npuy4n t0
Hinh 2.18. Cac gia tri nang lu'Qng ion hoa th(r nhat
dia cac nguyen t6 thuQc 5 chu kS/ d5u trong 135ng h5 th6ng tun hoan

2.2.4. Tuein hoar' [4 di lu'c electron (E)

Ai electron la nang Wong Weil cloi khi them 1 electron vao nguyen tit hay
ion ci trang thai khi:
X (k) + e- --> X- (k)
Toting tu nhu nang Wong ion hod, se do E1, E2... Trong h'au h6t cac trueng
hop, nang Wong se dUoc giai phong khi electron da'u tien duoc them vao nguyen
tit vi no bi hAp &an bai dien tich &long dm hat nhan, nghia la E1 < 0 (toa nang
Wong). Trai lai, tit di luc electron this hai tr.6 di lai luon duong (E2, E3... > 0) vi doi
hOi dttoc cap nang Wong de them electron tie-p theo vao met ion am.
Hinh 2.19 chi ra gia. tri Ai luc electron this nhAt cua cac nguyen to nhOrn
chinh A.
- Mac dit ai luc electron thi.thng am hdn khi di tit trai sang phai trong met
chu kY, nhung cung co nhUng bAt thuang va ngoai le do phu thuec nhieu
yeit to. Chang han, met electron dien vao nguyen tit N (1s22s22p3) de tao
anion N- (1s22s22p4) thi phai dien vao AO-2p da chila sdn mot electrcn.
Luc day gitia. 2 electron ghep doi nay trong met orbital lam cho ion N- (k)
rat kem ben (E1 = 0). Nguoc lai, khi them 1 electron vao C (k) (1s22s22p2)
tao ion C- (k) (1s22s22p3) se khong có luc day gifia cac electron, vi vay ion
C- (k) ben, ton tai (E1 = -122 kJ/mol).
- Khi di tit tren xu6ng dudi trong met nhom, di luc electron &tong hdn
(nang Wong toa ra it hdn, ke ca can cap them nang luting) vi electron

106
 dien vao ci xa hat nhan hdn (do gia tri n tang). Tuy nhien, chieu hudng
bien deci nay khong that ro rang va c6 nhieu ngoai le can duoc ly giai.
Chang han ngay c1 nhom phi kim dien hInh, trong khi Cl, Br, I tuan theo
quy luat chung thi di laic electron dm F lai nhO hdn du doan. Co the giai
thich rang, vi AO-2p cua F c6 kith thuoc qua nhO nen nhang electron
chiem cang mot orbital c6 tkic day lon bat thuong Oita electron -
electron, ai luc electron vi the nhO hdn.
IA VIII A
H He
-72,8 IIA III A IV A VA VI A VII A (+21)
Li Be B C N 0 F Ne
-59,6 (+241) -26,7 -122 0 -141 -328 (+29)
Na Mg Al Si P S CI Ar
-52,9 (+230) -42,5 -134 -72,0 -200 -349 (+34)
K Ca Ga Ge As Se Br Kr
-48,5 (+156) -28,9 -119 -78,2 -195 -325 (+39)
Rb Sr In Sn Sb Te I Xe
-46,9 (+167) -28,9 -107 -103 -190 -295 (+40)
Cs Ba TI Pb Bi Po At Rn
-45,5 (+52) -19,3 -35 -91,3 -103 -270 (+41)

Hinh 2.19. Ai luc electron (kJ/mol) die cac nguyen t6 nhOm chink

2.2.5.Tucin hoan ye do am dien (X)

Ai lvc electron khac nhau cita cac nguyen tii do'i voi electron trong lien ket
duoc m6 to bang mot dai Wong goi la di) am dien (lcS7 hieu X) dac trung cho khd
nang did nguyen tii' trong phan tit hat del electron dung chung ve phia minh.
Plutong phap dttOc chap nhan Ong rai de xac dinh do am dien la phoing
phap cita Linus Pauling (nha hoa hoc My, 1901 - 1995) dila ra nam 1923 dtia
vao nang Wong lien ket hod hoc nhu duoi day.
Gia sit c6 2 nguyen to hoo. hoc A va B. Cac nguyen tit ciia chUng c6 the
tao ditoc cac phan tii A-A, B-B, A-B. Nang Wong lien ket hoa hoc a a chUng
Ian lust la EA_A, EB_B, EA_B. Goi do am dien cita cac nguyen to A, B Ian hilt la
XA, XB. Theo Pauling thi:
XA - XB = 0,102-A (2-59)

A= E A-B VE A-A • EB-B (2-60)

O day, nang hiring lien ket hod hoc E do &toe bang thuc nghiem tinh theo
kJ/mol, la nang liking can thie't de pha va 1 mol lien ket.
Neu A-B, A-A, B-B la nhang phan tit giong nhau thi nang luting lien ket
E cua chung bang nhau, theo do A = 0 va XA = XB, deli electron dung chung se
khong bi but ve phla nao ca.

107
 Truing hop, ching han neu X13 > XA thi dOi electron dung chung lech ye
nguyen tit B, phan tit A-B se phan vol sU phan b6 dien tich nhtt sau:
A6(+) -B6(-)
1.4c but tinh dien gifia hai phdn tich dien trong phan tit AB din tesi lien
ket A-B ben hcin, nang Wong lien ket EA_B ldn hon nang Wong lien ket trung
binh VE A-A . E B-B khdc nhau ve dO am dien cua cdc nguyen tit cang lon,
tinh ion cua cdc lien ket cang kin va gid tri cua A cang 16n.
Theo 2-60 c6 the xdc dinh ctuoc A. Nhung tit 2-59 chi tinh &toe hieu so c18
am dien, khong xdc dinh tri d8 am dien cua tung nguyen to là bao nhieu.
De c6 duoc he thong d8 am dien so sonh, Pauling chon gia tri do am dien cua
nguyen to F (Fluor) lam m6c ya an ctinh XF = 4 (kJ/mo1)1/2. Tit d6 de ding xdc dinh
chioc gid tri do am dien cua cdc nguyen to khdc. He thong d8 am dien nay duOc
goi la he thong theo thang fluor hay he thong Pauling (Bang 2.12).
Bang 2.12. DQ am dien cua cac nguyen t6 theo thang fluor
Phan
6m IA II A II B IV B V B VI B VII B VIII, VIII2 VIII3 IB II B III A IV A VA VI A VII A
Chuk9
H
1
2,1

Li Be B C N 0 F
2 4
1 1,5 2 2,5 3 3,5

Na Mg Al Si P S CI
3
0,9 1,2 1,5 1,8 2,1 2,5 3

K Ca Sc Ti V Cr Mn Fe Co Ni Cu Zn Ga Ge As Se Br
4
0,8 1 1,3 1,5 1,6 1,6 1,5 1,8 1,8 1,8 1,9 1,5 1,5 1,8 2 2,4 2,8

Rb Sr Y Zr Nb Mo Tc Ru Rh Pd Ag Cd In Sn Sb Te I
5 2,4
0,8 1 1 1,4 1,6 1,8 1,9 2,2 2,2 2,2 1,9 1,5 1,5 1,8 1,8 2,1

Cs Ba La-Lu Hf Ta W Re Os Ir Pt Au Hg TI Pb Bi Po At
6 2,2
0,7 0,9 1,4-1,2 1,3 1,5 1,7 1,9 2,2 2,2 2,2 2,4 1,8 1,5 1,6 1,8 2

Fr Ra
0,7 0,9

D6i ydi cdc nguyen to nhom chinh A, do am dien tang khi di tit trdi sang
phai cua mot chu kST, va giam khi di_xuong duoi trong mot nhom. Doi v6i. cdc
nguyen to chuyen tiep B, quy luat bier' thien vita ke kh8ng that chat che.
. Gioi han cua d8 am then là to 4,0 (d6i yoi F, mot phi kim manh nhdt) den
0,7 (deci yoi Fr, mot kim loai manh nhdt).
Tu su tuan hoan v'd 5 gac tinh co ban cua nguyen tit nhu da trinh bay
tren, to c6 the suy ra s>t tuan hoar' ye cdc tinh chdt khdc cua nguyen to theo
chu kS7 va nh6m, nhu tuan hoan ye tinh kim loai ya tinh phi kim; tuan hoan ye
tinh oxy hod khi; tuan hoan ye tinh acid - base cua cdc oxyd;

108
 Chticing 3

LIEN KET HOA HOC VA CAU TAO PHAN TO'

MUC TIEU
1. Dva veto tong thiec VSEPR va su' phan ciec cila lien ket, chi ra du'dc clang hinh
hoc va gici tri taking doi ve momen lu'ang cern cac phan t nhO.
. Gidi thich du'o'c nguyen nhan hinh thanh lien ket, d'6 ben lien Vet; g6c cac
lien ket va 2 19.0 lien ket cc 7z- theo phumg phcip VB.
3. Xa y du'ng du'dc so, cho nang lu'dng cho phan. tee cang hach A2 va mot so"phan tee
di hach do'n gidn theo phu'o'ng phdp MO. Tie do:
- Tinh du'o'c d6 bei lien ket.
- Phan biet du'dc cr-MO, 7tMO, MO khong lien ket va MO phdn dinh
- Giai thich du'dc tinh chat quang va tit•ceict phan

1. LIEN KET HOA HOC KHONG DUA TREN CO HOC LEONG Tip
1.1. Nhfing thuygt ye lien kgt hod hoc
Thuyet cau tao nguyen tit dm Bohr (1913) ket hop voi cac dii lieu quang
ph'd nghiem da xac dinh duoc s6 electron tren ding lop va phan lap electron
cita nguyen tit cac nguyen to. Ngitai ta nhan thay cac khi hiem c6 s6 electron
lop ngoai ding bang 2 (He) hoac bang 8 (Ne, Ar, Kr...) va chting gan nhtt "trd"
ve mat hoa hoc a dieu kien binh thuong.
Phan tit la tieu phan nha nhat dm met chat khi c6 kha nang ton tai dec
lap, chita it nhat hai nguyen tit (frit khi hiem). CS dieu kien binh thitang cac
phan tit not chung hoat long hoa hoc yeu.
Ngttdi ta cho rang sa di hoat tinh cua cac phan tit kern hoat tinh so vOi
cac nguyen tit tao nen no vi khi ket hop vOi nhau de tao thanh phan tit, lop vo
electron cila tang nguyen tit chick sap xep lai de dant cau trtic \Tung ben nhu
khi hiem (bang 2 hoac bang 8). Viec sap xep lai va electron nguyen tit c6 the
thiic hien bang hai cach:
+ Nguyen tit nay cho nguyen tit kia electron.
+ Cac nguyen tit tao nen phan tit cung dua ra nhang electron de dung
chung.

109
 Tit do xuA hien cdc thuyet ve c'du tao phan
* Thuyet lien ket ion cila Kossel
Thuyet nay cho rang khi tao phan tit, mot s6 nguyen tit nhuang electron
de c6 lop v'O electron bang 8 va tra thanh ion duon.g, so nguyen tit khdc nhan
electron cang de c6 16p yO electron bang 8 va tra thanh ion am. Cdc ion tral
dau but nhau va tao nen phan
Vi du: phan tit NaC1

- Na Z = 11 1s2 2s2 2p6 3s1

:Na: + :C1: —p :Na: :Cl:
Cl Z = 17 1s2 2s2 2p6 3s2 3p5
Natri cho 1 electron a 3s, Clor nhd.n 1 electron vao 3p5. Lien ket hinh
thanh nha sue but cUa hai ion nen goi la lien ket ion.
Hod tri cua cdc nguyen tit trong trtiang hop nay goi la dien h6a tri hay
hod tri ion. Ion mang dien tich &tong goi hod tri &tong (Na+ hod tri +1), ion
mang dien tich am goi hod tri am (Cr hod tri -1).
* Thuyet lien ket tong hod tri cila Lewis
+ Quy tac bdt
Tren thuc to lien ket ion chi xay ra voi cdc nguyen to kim loci dien hinh
(Na) va phi kim dien hinh (Cl). Cdc truang hop khdc khong the giai thich duck
bang lien ket ion dm Kossel. Nam 1916, Lewis dua ra thuyet Ong hod tri: khi
tao lien ket, moi nguyen tzt du'a ra mot hoac nhi'du electron tao thank nhi-tng
cap electron clang chung sao cho so electron ngoai cling czia m6i nguyen tet
trong phan gidng khi hieM (bang 2 hoac bang 8). Quy tac vita neu goi la quy
tac bat tit. Lien ket duoc hinh thanh theo kieu nay goi la lien ket dOng hod tri
(hay tong hod tri).
VI du:
H2 (Z = 1 1s1) H • + •H ----> H : H
N2 (Z = 7 1s2 2s2 21)5) :N: + :N: —p :Ni:N:
C12 (Z = 17 1s2 2s2 2p6 3s2 3p5) :Cl. + •6: --->
H (Z = 1 1s1) HH
C2H6
H • • a + • a •• H —' H:C C:H
C (Z = 6 1s2 2s2 2p2) H H HH

Nhu vay trong cdc phan tii N2, C12, H2, C2H6, cdc nguyen to d6u c6 so
electron lop ngoai bang 2 (deii vOi hydro) va 8 (doi voi cdc nguyen tit N, Cl, C).
Ro rang thuyet deMg boa tri cila Lewis c6 tinh bao quat hdn va c6 the not
thuyet dien hoa tri cua Kossel chi la truang hop dac biet cua thuyet Lewis.

110
 * Thuygt lien kgt phoi tri (hay lien kgt cho nlidn)
Trong qud trinh nghien citu, nguai ta nhdn thdy cau tao phan 6:1 cua nhigu
hop chdt khong thg giai thich dude neu chi dung thuygt ang hod tri dia. Lewis.
Vi du: cdu tao phan tit H2SO4, NH4+ .v.v...
VI \Tay nguai ta ra thuygt lien kgt ph6i tri \Ted not dung: dg tao cdu
hinh electron bgn vitng, cdc nguyen tet trong phan tic' c6 the' clitng chung nhring
doi electron do mot nguyen tit dila ra.
Vi du:
H H
NH4' H 4- + :N:H H:N:H
H H 4.

H • • 6- H: S.
H2S°4
:s:
H•• • .0. H :O . . d.
•• • •

F H F H
F3BNH3 F:B + :N:H F: B: N: H
F H F H
Lien kgt pho'i tri hay gap trong ph& chdt va IA lien kgt dac truing cila
phlic chd.t.
Tit nhang vi du trgn có thg thdy digu kign hinh thanh lien kgt pho'i tri la
mot nguyen tit tao lien kgt phai có cap electron tit do, nguyen tit kia phai co
orbital trong.
Lien kgt ph6i tri cling la lien ligt di3ng hod tri.
MOt s6 qui tide va khai niem can lutu :
+ Cong that electron: cong thfic electron cila phan tit dlioc thg hign bang
ky higu nguyen to voi dau chdm thay cho electron nhu nhfing vi du
tren.
+ Cong that ceru tao: ci4s dcin gian, nguai ta thay 2 chdm thg hign.cap
electron dung chung bang mot gash ngang va cong thfic phan tit vigt
dUoi dang do goi la cong thfic cau tao.
Vi du:
H H
I
H—H, Cl—Cl, H—C —H
I
H H

111
 Cap electron cila lien ke-t phoi tri dtfoc thay bang miii ten 'Dieing tif
nguyen to cho den nguyen tit nhan.
Vi du:
H + F H
H-0 \ 0 I I
F —B N—H
I I
H-0 0 H F H
+ Electron hod tri, electron lien 1(61 va khong lien ke-t:
Lop electron ngoai cua nguyen tii cliff a nhiing electron có the tham gia
lien ke-t goi la ldp electron hod tri. Electron d lop electron hoa tri goi la
electron hod tri. Electron hoa tri tham gia lien ke-t goi la electron lien ke-t.
Electron hod tri khong tham gia lien ke-t goi la electron khong lien ldt hay
electron tti do.
Vi du: xet nguyen tii nitd trong NH3
N Z=7 1s2 2s2 2p3
O lop n = 2, nits có 5 electron hoa tri trong do có 3 electron lien ke-t va 2
electron khong lien ke-t hay electron tti do.
H
H N: EZ Electron to do
Electron lien ketH
+ Hod tri:
Hod tri cua mot nguyen to trong hop chat cong hod tri la so lien ke't hinh
thanh Oita mot nguyen to cua nguyen to do v6i cac nguyen tif khac trong
phan
Vi du:
Trong H2 hydro có hod tri 1 H—H

Trong 02 oxy có hod tri 2 0=0

HH
Trong C2H6 carbon có hoa tri 4 I I
H—C—C—H
hydro co hod tri 1 I I
HH
Hod tri cUa mot nguyen to trong hop chat dien hod tri bang dien tich cua
ion do.
Vi du: Trong NaCl hoa tri cua natri la +1 (Nat)
hod tri cua dor la -1 (Cl-)
Trong MgC12 hoa tri cua magnesi la +2 (Mg')

112
 + S6 lien ke't ya bdc lien kit:
Gifta 2 nguyen tit c6 1 lien ke't goi la lien ket don (H-H), se; lien ket bang
1. Neu gala 2 nguyen tit c6 2 hodc 3 lien ke't goi la lien ke't d8i (0=0), lien ke't
ba (N=N), so lien ke't bang 2 va 3.
So lien ke't Oita 2 nguyen tit cung goi la bdc lien ket.
Thuye't lien ke't hod hoc c8 dien da giup chung ta hinh dung mot each
Binh tinh ve stt hinh thanh lien ke't va giai thich thanh phdn xdc Binh cita
phan tit nhung con nhi6u han ehe. Cdc thuye't nay khong not len duoc ban
chAt lien IC& dOng hod tri, khong giai thich duoc tinh dinh hitting cita lien
ket, cAu triic khong gian cita phan tit va stt tem tai cita cdc ion phan tit H 2+,
He2+ .v.v...
Tuy vay ngay nay, mot stikhdi niem tit cdc thuye't nay van dtioc sit dung
vi no de hinh dung va giup chUng ta hieu khdi niem moi de Ilan.
1.2. Mot so tinh chat cita phan tit
1.2.1.Sv phan clic lien kit vet phan cue phan tet
* Su phan cue lien ket:
Tinh chAt lien ke't phu thuQc vao vi tridoi electron dung chung gifia hai
nguyen tit, the phu thuQc vao su Wong quan dQ am dien cua cdc nguyen tit tao
nen lien ket. Ta c6 lien ket A-B va dQ am dien XA, XB. Neu:
XA = XB, doi electron dung chung dung gifia hai hat nhan nguyen tit A va
B. Lien ket khong phan cue (lien ke't Ong hod tri hoan toan). VI du: lien ke't
trong cdc phan tit gom hai nguyen tit cua mot nguyen H-H, Cl-Cl,
XA# XB, truang hop nay lien ke't A-B phan cue song mite dQ phAn atc phu
thuQc vao hieu dQ am dien XA - XB:
Neu XA - XB < 1,7 c6 lien ket Ong hod tri phan cue.
Vi du: H-Cl Xcl = 3 XH = 2,1 Xci - XH = 0,9
Neu XA - XB 1,7 lien ke't A-B la lien ket ion.
VI du: Xet lien ket Na - Cl
XNa = 0,9 Xcl = 3 vdy XA - XB = 3 - 0,9 = 2,1
* Mite dQ ion trong lien ket:
Mite do ion trong lien ket la tST le dien tich thuc cua cdc cue lien ke't so voi
dien tich ate khi gia thie't nhdn hoc cho hoan toan electron. Nhtt tren da
trinh bay, dien tich that cua cdc cue trong lien ke't phu thuOc vao do chenh
lech giva hai dQ am dien. Vi vdy mite di) ion P &toe bieu hien nhu sau:

113
 XA
XB .100
XA XB
P: % mitt d() ion trong lien k6t
XA, XB do am dien cua cac nguyen to A, B
Vi du: tinh in& do ion trong lien k6t H-Cl va Na-Cl bi6t XNa = 0,9 XI{
=2,1 Xcl = 3.
Giai: theo cong thiic tinh mitt d6 ion trong lien ket ta c6:
Na-Cl:
3 - 09
P = ' .100 = 53,8%
3 + 0,9
Mifc d6 ion trong Na-Cl là 53,8%, nghia la trong lien k6t Na-Cl van c6
tinh deng hoa tri.
H-Cl:

P .100 = 17,6%
3 + 2,1
Trong lien ket H-Cl tinh ion It hdn trong Na-Cl.
* Momen Wong clic va sit phan clic phan tit
+ Momen Wang qic: de danh gia mile d6 phan cvc cua phan ta
dtta ra khai niem momen Wang ci/c.
Gia sit ta c6 2 utc dien v6i dien tich +q va -q, khoang cach gifia 2 clip la 1,
thi momen Wang ctIc ditoc bleu dien bang mai ten tit +q den -q va gia tri &toe
tinh theo ding thiic:
->
= q./

: momen Wang cvc do bang ddn vi CGSE.

1 CGSE = 1018 Dobai
q: dien tich dien cttc do bang don vi tinh dien (Dien tich electron
e= ddn vi tinh dien goi là -dien tich co ban).
1: khoang cach giiia 2 cvc do bang cm

-q
q

114
 Neu phan tit gom nhieu nguyen tit thi momen Wang elle cua phan tit
bang tong cac momen Wang a/c thanh phAn:
n -->
E
i=1 1

VI du: phan tit c6 3 nguyen

--->
2
=A ti
1
+ IA
2
+ 2µ i11, cosa

* Si phan cite trong phan tit

Yeu to quan trong anh huang den sit phan cttc cua phan tit la khoang
each tam tich dien am va tam tich dien duong trong phan tit. Phan tit g8m 2
nguyen tit, khoang ce.ch tam tich then am Ira tam tich dien doing phu thuOc
vao dO am dien cita 2 nguyen tit tao thanh phan tit.
Vi du: xet phan tit H2, dO am dien cua hai nguyen
tit hydro &tong nhien la bang nhau nen doi electron • )
dung chung nam giita khoang cach 2 hat nhan va trung +/
voi tam tich then &tong. V6.y nen phan tit H2 khong H H
phan civic.
VI du: HC1 di) am dien dm hydro (XH = 2,1) nhO
hcin do am dien cita clor (Xcl = 3) nen doi electron dung ( • : •
chung lech ve phla clor, clor mang (hen tich am, con
tam tich dien thing ve' phla hydro; t # 0 va HC1 la H Cl
phan tit phan cttc.
D6i vol phan tit Om 3 nguyen tit ft6 len, tam tich dien am va tam tich
dien ducing trong phan tit phu thuOc vao au true khong gian cua phan
hoac doi electron tu do trong phan
VI. du: CO2 va H2O deu la phan tit Om 3 nguyen tit, nhting CO2 là phan tit
khong phan cuc, con H2 O la phan tit phan cue. Ta xet tiing tr.-Sing hop cu the.
Phan tit CO2: dO am dien cUa oxy (X0 = 3,5)16n hdri do
am dien cila. carbon (Xc = 2,5) nen doi electron dung chung
lech ve phla oxy. Oxy mang dien tich am, carbon mang dien
tich dtidng. Thuc nghiem da" xac dinh cac nguyen tit carbon — —
va oxy trong CO2 nam tren mot &tang thang. Nhtt v4y tam 0=C=0
tich dien am (Oita 2 oxy) se trung voi tam tich dien ducing
(nguyen tit carbon) nen C = 0 ---> µ co2 = O.

115
 Phan tit H2O: trong lien kgt H-0 doi electron dung
chung lech v6 phia oxy vi XH (2,1) nhO hon X0 (3,5). Hai lien
ket O-H tao viii nhau mot g6c 104,5°, 3 nguyen tit hydro va
oxy kh6ng nam tren mot &tang thang, tam tich dien am ve
phia Oxy, tam tich dien &tong nam Oita 2 nguyen tit hydro.
Nhtt vay tam tich dien &tong khong trang viii tam tich dien
am, H2O phan chic.
D6 phan cup cua phan tit con phu thu6c vao doi electron tit do. Ta xet hai
truth/1g hop NH3 va NF3.

NH3 µ = 1,45 D NF3 µ = 0,2 D

Hai phan tit NH3 yd. NF3 c6 cd:u trot khong gian giong nhau, do phan cuc
dm lien ke't N-H va N-F gdn nInt nhau (XN = 3 , XH = 2,1 , XF = 4) n1-fling
momen Wong cue cUa 2 phan tit khdc nhau. Di6u nay dude giai thich nhtt sau.
Do XN > XH nen doi electron dung chung trong lien ke't N-H lech vg phia N,
nen then tich am roi vao Nito, tam tich dien duong nam phia hydro. Ngoai ra,
o nito con 1 doi electron tut do nen tam tich dien am cila phan tit NH3 nam v6
phia doi electron tu do. Nhu vay la lam tang khoang each gifia tam tich dien
am va tam dela dien &tong, d'an den lam tang momen Wong cue phan tii. Truang
hop NF3 XF (= 4) lon hon XN (=. 3) nen doi electron dung chung trong lien ke't N-F
lech ve phia fluor. Nhtt vay tam tich dien &tong phia nits, tam tich then am nam
giiia doi electron to do va cdc nguyen tit fluor. Dieu nay lam cho khoang each giiia
tam deli dien am va tam tich dien &tong nhO nen liNF3 nhO.
* ling dung momen luieng cue:
Nhu da trinh bay d tren, momen lang cue cua phan tit lien quan den
tinh chA va cgu true khong gian cua phan tit. Vi vay trong hod hoc, ngttai to
ling dung momen Kiang cue de tinh d6 phan clic va xac dinh cgu true kh6ng
gian cUa mot s6 phan
VI du: xac dinh µ cua phan tit HC1, bielt XH = 2,1, Xcl = 3, C = 1,26.10-$ cm.
Truoc hgt phai xac dinh dien tich 2 cue:

116
 •

Xcl XH .100 = 3 - 23 .100 = 17%

Xci + XH 3 + 2,1
+17% -17%
H Cl
0,17 .4,8.10-1° .1,26 .10-8 = 1,03.10-18 (CGSE)
= 1,03. 10' . 1018 Dobai
= 1,03 dobai (1,03 D)
VI du: xac dinh vi tri cUa clor trong diclorobenzen tren cd s6 momen
Kiang cuc:
Wan xugt para:
1-/P = 1-12 0

lip = AM + ii.; + 211,11x 2cosa

= 1124 + 21.ti2 cos180° = 0

Dan xuat orto:

[to = )14 + µ2 - 2_10.12cosa

Cl 1-1 1-12 = 120°

.1
o /I + 1122 + 21,41,2cos60°

• 124 +2µ 1
2- = 11-fj.
2

,C1 Ddn xu-a-.t meta:

• -\14 + [I; + 2111.1 2cos120°

A124 - 21.11. =

Nhii vay, bang thuc nghiem, ta co the xac dinh momen Wang clic dia phan
TU gia tri cua momen luong chic phan tii, ta co the biet cau true phan

1.2.2. Tit' tinh cact phan ti?

— Momen tii vinh citu:
Ghia tang spin J va momen tii co he thfic:

117
 eh
Ilm 2 VJ (J + 1)11B B
ziamc
: manheton Bohr
e: dien tich electron
h: hang s6 Planck
m: khgi Wong electron
c: van tgc anh sang
Tit he thitc tren, ngu J = 0 (tdt ca electron ghop doi), thi khong c6 momen
tii vinh citu. Ngttoc lai ngu J 0 (trong phan tit c6 electron doe than) thi c6
momen tit vinh dm.
— Chdt nghich tit:
Noi chung chdt nghich tit la chdt khong c6 momen tit vinh citu (um = 0)
hay not cach khac la chdt khong c6 electron dec than.
VI du: H2, CO2, H2O v.v...
Nhfing chit nay ngu dat vao tit trithng kh6ng
deu, se bi tac dung met theo chieu giam cua
Wang do tit tritang. Nhiing chdt nay bi nam
S cham day va goi la chit nghich tit.
— Chit thudn tit:
Nhung chdt c6 momen tit vinh citu (um 0), tile nhang chdt cg electron
dec than.
Vi du: - Cdc ggc tit do
- Met so- phan tit 02, NO2...
- Met s6 phitc chdt cua kim loaf chuyen tigp [FeF6]3-. O day
Fe' có d5 coelectron dec than.
Nhitng chdt nay ngu &at vao mot tif tritong
kh6ng deu thi se c6 met hp tdc do, ng len mAu
theo chieu tang cila tit trithng, tile la nhang chdt
nay bi nam cham

2. LIEN KET HOA HOC THEO CO LUNG Ti! (QUAN NIEM MOI VE
LIEN KET HOA HOC)
Nhit da trinh bay c3 tren, nhang thuygt ye lien kgt hod hoc phi cd Wong tit
khong giai quygt ditoc nhiing van de v6 lien kgt hod hoc va cdu tao phan tit
met each ddy du. Phan tit la he thong g6m nhfing hat vi mg vi vdy nghien ciiu,
giai quygt cdc van de cila he thgng nay phai data tren cd hoc Wong tit.

118
 -

Theo co hoc Wong di, he AB hinh thanh tit A va B khi:

Nang Wong toan phan cila AB (EAB) nhO hon tong nang ltiong cUa A (EA)
va cUa B (EB) rieng le titc la khi A va B tac dung voi nhau, co hien tuong
giai phong nang Wong.
Mat dO electron d khong gian giiia 2 hat nhan A va B tang len. Nhu vay
gicia hat nhan A va B hinh thanh dien tich am. Dien tich am nay but 2
hat nhan A, B mang dien tich &tong tao lien ket A-B.
Qua nghien citu, nguoi to thay chi có electron lop ngoai, titc lop electron
hoa tri, tham gia lien ket, cac electron lop trong khong thay d6i.
VI phan tit la he nhi6u hat vi me phiac tap nen chi có the giai piniong
trinh Schrodinger cho he bang phitong phap g6.n dung. CO hai philong phap
gAn dung hay dung la:
- Philong phap cap electron hoa. tri (hay phtiong phap VB - Valence Bond).
- Phuong phap orbital phan tit hay phuong phap MO (Molecular Orbital).
2.1. Phticing phap cap electron h6a tri - pinicing phap VB
Phuong phap VB hinh thanh tren co sa phat trien phuong phap Hetler -
London doi vdi nguyen tit hydro.

2.1.1. Phu'cing phdp Hetler - London

1 r12 2 Tren co so cap electron dung chung cua
Lewis, Hetler - London da van dung nhang
nguyen ly dia co hoc Wong tit de giai bai
toan phan 61 hydro. Phan tit hydro Om 2
hat nhan A, B va 2 electron kST hieu la 1 va
2 có the bieu dien bang Hinh 3.1. Phuong
trinh Schrodinger doi voi phan tit hydro
A
A R B (H2) co clang: H = E yt
Hinh 3.1. Ma hinh phan tit H2
A
Vol H = T + U
h2 h2 2,1 1 1 1 1 1
= - V - gir2 mV 2 + e k.— +-- - --)
87r 2 m 1 R r12 rAl rB2 rA2 rBl
Tit piniong trinh tren có the suy ra bieu thue tinh nang Wong:

f w A kvav
E = (*)
fw2 dV

119
 Neu xac dinh dude yr c6 the tinh daoc E, nhung vi phan tit hydro la he
ph& tap, khong the giai daoc phudng trinh Schrodinger nen Hetler - London
dung phudng phap gan clung de xac Binh w.
- Xay dung ham w:
Traoc het Hetler - London thila nhan trong phan tit hydro van con
orbital nguyen tit VSA va ysB va mi3i orbital có 1 electron. Electron 1 gan hat
nhan A va electron 2 gdn hat nhan B. Nha vay orbital phan tit hydro có
la (1) w (2)
%II I
= SA SB
Ngucic lai cling có kha nang electron 1 dgn gdn hat nhan B va electron 2
gdn hat nhan A va khi do phan tit hydro có dang:

111 = SB(1)
NI SA (2)

Hai electron 1, 2 hoan than giong nhau nen yi va yll hoan toan tLidng
during va phudng trinh Schrodinger la phudng trinh vi phan tuyen tinh nen có
the coi ham song cila he phan tit hydro la to hop tuyen tinh hai ham yi va yll
va goi la ham d'6ng hoa tri WDHT.
(1) (2) (2) (1)
klf DHT SSA NI SB SSA TSB
Ham ll/DHT mOi chi la ham khong gian hay ham orbital, mo to sit chuyen
dOng cila electron trong khong gian phan tit. Electron con c6 ham spin not len
sU chuyen dOng not tai nao do cila ban than electron. Vi vay de mo to day du
sit tem tai cila electron trong phan tit phai sit dung ham than phan. Ham toan
phan là tich ham orbital va ham spin.
Theo nguyen lST Pauli, ham toan phan cila electron phai la ham phan
Nha vay ne'u ham orbital la ham d6i xiing (y+) thi ham spin phai la ham
1 1
phan xiing tfic la ham spin c6 gia tri + - va --- , hay not hai electron c6
2 2
spin doi song (T,1). Ngaoc lai, n6u ham orbital la ham phan xang thi ham spin
phai la ham d6i xung tfic 2 electron có spin song song (TT).
— Su bign thien nang Wong ciia he:
Ngu thay ham toan phdn vac) bigu thiic tinh nang Wong cila he (*) va cho
khoang each gitia 2 hat nhan A, B (rAB) thay ctdi thi nang luting E cua he thay

120
 + Neu thay ham toan phAn
vdi 2 electron có spin doi
song (t1), thi khi rAB giam,
tfic HA tien gan den HB,
nang Wong E cUa he giam CI W.-
dan va dat ctic tiL d gia 2E
tri rAB xac Binh. Neu tie'p
tuc giam rAB thi E cua he 0 W,
bat dau tang vi khi HA va
H lai qua gdn nhau thi
bat dau xugt hien lip day
gitia 2 hat nhan (tfic the R (A°)
nang cua he tang). Khoang
cach iing vdi nang Wong Hinh 3.2. St! bign thien nang Kling
chic tieu la khoang each cila theo va y_
2 hat nhan o trang thai can bang. trang thai nay 'fang luong cua he la thKp
nhat, tile he ben nhat. Su giam nang Wong dia he dttoc giai thich bang sit
tang mat d6 electron gifia 2 hat nhan (tfic 2 orbital NJBA va xi/BB xen phu nhau),
giaa 2 hat nhan có dien tich am.

Nhtt \Tay 2 hat nhan bi but ve tam phan tii. Tit do có the not laic lien ke't
hoa hoc có ngu8n g6c tinh dien.
+ Neu thay ham toan phan vdi 2 electron có spin song song (TT) (tfic ham
spin doi xiing) thi khi nguyen tit A tie'n gdn nguyen tit B, nang Wong
cila he lien tuc tang, tile he khong ben vting (khong hinh thanh). Mat
dO electron gifia 2 nguyen tit giam: 2 orbital khong xen phu nhau.

Ti nhfing dieu da trinh bay d tren có the not 2 nguyen tii hydro có 2
electron dOc than, nIning phan tif hydro chi hinh thanh khi spin dm 2 electron
doi song. Doi electron dung chung nay ling vdi doi electron dung chung trong
thuyet d8ng hoa tri ciia Lewis.
Truang hop co nguyen hydro this ba thi nguyen nay clang khong the
ket hop vdi H2 de tao thanh H3. Vi neu c6 H3 nghia la se có 2 electron trong 1
orbital có spin song song. Dieu nay trai vdi nguyen 1ST loai tril Pauli. NInt \lay
thuyet da giai thich thanh phan xac dinh cua phan tit hydro la H2.

121
2.1.2.Thuyet VB va gidi thich dinh tinh cac van ca ve" lien hit hod hoc
Thuy6t VB la sv ma Ong k6t qua khao sat phan tit H2 cia Hetler -
London cho cac phan tit khac. Hinh thanh phan tit hydro la k6t qua sti xen
phi 2 orbital s ciia 2 nguyen tit hydro. Cac nguyen tit cita cac nguyen to khac,
electron hoa tri khong chi la electron s ma con c6 th8 la electron p, electron d,
vi vay su to hop cac orbital d6 tao li8n k6t cling da dang va phiic tap hon.
* Nguyen 1S7 xen phu tilt dai, sur hinh thanh lien kgt va tinh dinh
hoeing hoa tri theo VB
Tit phthing phap Hetler - London d6i voi phan tit hydro c6 th8 not 2
nguyen tit chi tao dive li8n k6t khi cluing c6 electron boa tri do, c than va cac
orbital boa tri xen phi du6c voi nhau. Hai orbital xen phu tang nhi8u lien k6t
tang b6n. Tit do xugt hi8n nguyen ly xen phu cuc dai: lien k6t se ducic phan b6
theo phthing huong nao ma mite d6 xen phi cua cac orbital lien k6t c6 gia tri
cuc dai.
Vi du 1: xet sit xen phi cac orbital khi tao lien k6t H-Cl

H Z = 1 is
is

Cl Z = 17 1s2 2s2 2p6 3s2 3p5

3s 3p
Hydro c6 electron d6c than a ls, con clor co electron d6c than a 3p. Nhu
vay c6 hai kha nang xen phi. N6u vis ciia hydro xen phu vdi W3Px ma' a clor theo
true x thi 2 orbital xen phi cuc dai. N6u yls xen phi voi 3p,,, va 3p, theo hitting
truc x thi mite d6 xen phi]. bang 0 (b) va lien k6t khong hinh thanh (Hinh 3.3).

(a)

(b)
Hinh 3.3. (a) Xen phtl cite dal dia Ws va WP

(b) Mac dO xen phu bAng 0 cila y,s va WP

122
 Vi du 2: lien k6t trong phan tit C12
Ta bie't 6 m6i phan lop 3p, clor c6 1 electron dOc than, gia sit nam trong
orbital px. Hai orbital px cia 2 nguyen tit clor xen phi clic dai theo truc x.

C> Cl
>+<
X x
Cl
C> Cl Cl
Vi du 3: lien ke't H2S
T1. '1'
S Z = 16 1s2 2s2 2p6 3s2 3p4
z x
Hai orbital 'Vs cia 2 nguyen tit hydro xen phi cuc dai vOi 2 orbital px va
pz _cila huSTnh. Vi vay, n6u khong c6 Wang tac khac, thi gOc to bai 2 lien
ket la 90° (Hinh 3.4).

Hinh 3.4. So do xen phu cac dam may tao H 2S

Qua cac vi du 1, 2, 3 chting to thay, d4 dam bao tinh xen phi cuc dai thi
cac orbital hoa tri phai xen phik theo nhiing httdng xac dinh, tao nen tinh dinh
Intong cac lien kk.
* Thuygt VB va hoa tri spin cUa cac nguyen to
Hoe tri cia mot nguyen to la se: lien '1dt c6 the c6 cia mot nguyen tit
nguyen to do vOi cac nguyen tit khac trong mot phan tit.
Thuye't VB trail cd sa philang phap Hetler - London cho thay moi lien ke-t
tong hoa tri dttoc hinh thanh tit ski ghep doi 2 electron dOc than co spin d6i
song thuOc 2 nguyen tit tao lien ke't. Digu do c6 nghia hoa tri 1 nguyen to do s6
electron dOc than cia nguyen tit nguyen to do quye't dinh. Hoa tri do goi la hoa
tri spin. NInt vay xac dinh s6 hoa tri spin la tim s6 electron dOc than co the c6
trong nguyen tit mot nguyen to.
Cach tim hoa tri spin dia nguyen to thu6c phari nham chinh va phan
nhorn phu c6 phan khac nhau.
+ De xac dinh hoa tri spin mot nguyen to phan nh6m chinh A can qua
cac btioc:

123
 Viet cau hinh electron nguyen
—Ve sO del electron cUa nguyen tit nguyen to do a trang thai cci ban va
trang thai kich thich.
— Tinh s6 electron dOc than c6 the cod cac trang thai.
Vi du: xac dinh hoa tri spin cila carbon (Z = 6)
Cau hinh electron eila carbon: 1s2 2s2 2p2
a
So do electron cila carbon trang thai cci ban va trang thai kich thich:
by

Trang thdi co ban Trang thdi kich thich

a
Milt vay trang thai cci ban nguyen to carbon c6 2 electron d(ic than, a
trang thai kich thich c6 4 electron d6c than nen carbon c6 hod tri 2 va hoa tri 4.
VI du: xac dinh hod tri spin cUa fluor (Z = 9)
Cau hinh electron cUa fluor: 1s2 2s2 2p5
So do electron cilia nguyen tit fluor:

Fluor c6 1 hoa tri duy nhat: hod tri 1. VI d n = 2 chi c6 2 phan lop: s va p,
nen khong con orbital trong, nhang electron ghep doi khong the tach thanh
electron dOc than.
VI du: xac dinh hoa tri spin eila clor (Z = 17)
Cau hinh electron cua clor: 1s2 2s2 2p6 3s2 3p5
Lop ngoai ding n = 3. 6 lop nay c6 the phan lop 3s, 3p va 3d, nen electron
a
ghep doi 3s, 3p khi bi kich thich c6 the chuyen sang 3d:
by
T

Trang thdi co ban hod tri 1 Trang thdi kich thich hod tri 3
Tl- 1' 1'
Hod tri 5
1' 1'
Hod tri 7
Vdy clor cod cac hod tri 1, 3, 5 -yd. 7.
Can hfu ST d trang thai co ban, electron duoc sap xep theo quy tat Hund; a
trang thai kich thich, electron ghep doi chi c6 the tach va chuyen sang cac
orbital trong ding lOp n.

124
 Bang each tildng c6 the xac dinh hod tri spin ciia tat ca cac nguyen to
phan nhom A:
Phan nhom 7A c6 cac hod tri spin 1, 3, 5, 7
Phan nhom 6A c6 cac hod tri spin 2, 4, 6
Phan nhom 5A c6 cac hod tri spin 3, 5
Phan nhom 4A c6 cac hod tri spin 2, 4
— Phan nh6m 3A c6 cac hod tri spin 1, 3
— Phan nh6m 2A c6 hod tri spin 2
Phan nh6m 1A c6 hod tri spin 1
+ Tinh hod tri spin mot nguyen to chuyen ti6p: ns2 (n-1)c11-16
Viet tinh hod tri spin doi vdi cac nguyen to chuyen ti6p cling &foe tien
hanh theo trkt tki ninf &eoi vdi nguyen to thuiic phan nhom chinh. Tuy vay each
tinh c6 khdc: dau tien 2 electron ghep &I 6 ns2 khi bi kith thich chuyen sang
np, tao nen 2 electron diic than a lop ngoai ding. Hai electron d6c than nay
tham gia lien k6t nen hod tri dau tien la 2. Sau do cif ni67 i electron clOc than 6
phan 16p (n-1) d ding vdi 2 electron lop ngoai ding (ns np) tham gia lien k6t
thi to duoc trang thai hod tri tiep theo.
Vi du: tim hod tri spin cila mangan (Z = 25)
Cu hinh electron: 1s2 2s2 2p6 3s2 3p6 4s2 3d5
Sd do electron ciia Mn 6 trang thai cd ban va trang thai kith thiCh:
n=4

n=3 Ts1,
s p d d
Hod tri spin cila Mn la 2, 3, 4, 5, 6, 7.
Hod tri spin caa cac nguyen to thu6c phan nhom phu thuang bat dau la
2, r6i den 3... va k6t thuc bang s6 hod tri dung bang s6 nhom: phan nhom VII
B c6 hod tri lOn nhal la 7, VI B co hod tri lon nligt la 6 v.v... Rieng doi \Ted cac
nguyen to phan nhom I B (Cu, Ag, Au) do phan lop (n-1)d c6 9 electron (n-1)d9
nen co kha nang but 1 electron cila ns2 vao de thanh (n-1)d10.
ns2 (n- l)d9 <- >- ns (n-1)d'°
=
nen hod tri spin khong chi la 2 ma c6 ca 1 va 3, nghia la nhang nguyen to nay
c6 hod tri 1, 2, 3. Cu the, n6u cgu hinh electron la ns2 (n-1)d9:

by 1' 1'

n -1 Fq TJ Tl
s p d d
cac nguyen t6I B c6 hoa tri 2, 3.

125
 Neu cau hinh electron la ns1 (n-1)(11°
n

n -1 Es T1 11, 1\1, 1\1,

thi cac nguyen to teen chi c6 1 hod tri duy nhit la 1. Trong that te, ding thitang
c6 hod tri 1, 2, hay gap hod tri 2, bac c6 hod tri 1, yang thitang hod tri 3.
2.1.3. Thuyet VB va hoci lCtp the' (hay thuyet VB vai phan tti nhieu
nguyen
Biet cong thiic cua mot chit rat quan trong nhung chtta du de lien doan
tinh chit cila no. Nhieu tinh chit cita mot chit ditOc suy ra trvc ti6p tit d'a.c
trung hinh hoc phan tit cim chit do.
Vi du: to c6 phan tit H2O, H2S, CS2, CO2 . Cac phan tit teen de'u c6 3
nguyen tit nhung H2O, H2 S o the long, la dung moi tot doi vii cac hop chit ion,
con carbon dioxyd CO2 hay disulfid CS2 la dung moi doi vii cac chit c6 phan tit
cong hod tri. NhiTing tinh chit tren cim cac chgt lien quan NT& ciu trac phan tit
cua thong: H2O, H2S c6 clang g6c nen cac phan tit phan cuc, con CO2, CS2 c6
dang thang nen phan tit khong phan cue.
Co the giai thich *it cdch dinh tinh cau true khong gian va tinh dinh
Intong lien kgt cua phan tit bang thuygt VB. Nhfing yin d6 nay killing the giai
quyet ditoc bang cac thuygt lien ldt hoa hoc phi co litOng tit.
Giai thich cau triic khong gian phan tit theo thuye't VB bang 2 cach: co the
dtta tren cd so cac dam may thuan khigt hoac dtia tren cac dam may lai hod.
* Giai thich cgu tao mot s6 phan tit d4a teen cd sa cac dam may
thuan khigt.
Xet ho hop chit H2Y: H2O, H2S,
H2Se, H2 Te. Hai nguyen tit hydro trong moi
phan tit tren tao vdi oxy, lctu huSmh, selen,
telur nhcing goc hod tri gan 90°. Co the giai
thich cau tao cac phan tit tren bang si xen
phu cac dam may p thuan khiet cim Y (0,
S, Se, Te) y6i ddm may s cila hydro. Hinh 3.5. Ma hinh phan tit H2Y
Cac nguyen to oxy, luu huSmh, selen, telua d phan nhom VI A nen ciu
hinh electron lop ngoai ding la ns2 np4 va sd d6 electron:

P. P.
Hai orbital pz va pz cim Y (0, S, Se, Te) chita 2 electron d6c than vuong
goc vii nhau. Hai orbital nay tao lien ke't cong hod tri \Ted 2 orbital s cila 2
nguyen tit hydro (Hinh 3.5) theo pinking x va z. Nhu ydy goc glib. 2 lien kgt

126
O H phai bang 90°. Tren thvc to HOH = 104°,5, HSH = 92°2, HSeH = 91°,
HTeH = 89°5. Hien Wong nay dtioc giai thich nhti sau: cac nguyen to 0, S, Se,
Te trong ciing phan nham VI A, ban kinh nguyen tii tang dan va 4 am dien
giam dan tit oxy den telur. Nhti vay khoang cach giiia 2 nguyen tit hydro
trong cac phan tit tang dan, dien tich &long cua thong lai giam dan nen sic
ddy gift 2 hydro dien tich dicing trong cac phan tit giam clan tit H2O den
H2Te. Do do goc lien ket d phan tit H2O khac 90° nhieu nhat va goc lien ket
H2Te bang 90°.
* Giai thich cau tao phan tit teen cd sd orbital lai hoa. Thuygt lai
hoa cua Pauling
Neu data tren cac orbital thuan khiet, chi co the
giai thich dt.toc cau tao mot s6 hop chat, con cau
tao nhieu phan tit khong giai thich &loc.
Vi du. phan tit BF3 c6 cau tao dang tam giac d6u,.
B c6 dien tich hat nhan Z = 5 nen c6 cau hinh
electron 1s2 2s2 2p1 va sd de) electron d trang thai
F c0 ban va trang thdi kich thich:
by

F (Z = 9) c6 eau hinh electron 1s2 2s2 2p5 va sd do electron:

Neu dtia tren cac orbital thuan khiet (2s, 2p cua B va 3p cua F) thi khong
the giai thich dtioc cau tao cua BF3.
Turing tv, CH4 c6 cau tao dang tit dien deu, hoac CO2 c6 cau tao thing
ciing khong the giai thich &toe bang sI xen phi cac ddm may thuan khiet khi
tao phan
De giai thich cau tao phan tii cac hop chat, Pauling da dtia ra thuyet lai
hod cac orbital:
Cac ham yrs va Nip trong cac truing hop tren deu la nghiem phtiong trinh
Schrodinger. VI vay to hop tuygn tinh cac ham yrs, wp ve mat toan hOc se c6 2
ham mai cang la nghiem cua phthin.g trinh Schrodinger va goi la cac orbital lai
hod. Cdc orbital tham gia lai hod phai c6 nang Wong gin bang nhau. S6
orbital tham gia lai hod bang se orbital tao thanh sau lai hod (orbital lai). Cdc
orbital lai xen phi voi cac orbital cila cac nguyen tii khac nhieu hon. Hay n6i
cach khac cac lien ket tao nen bai cac dam may lai ben han cac ddm may
kh8ng lai lien ket vdi nhau.
Sau day la mot sof kieu lai hod thttang gap:
— Lai hod spa:

127
 Lai hod sp3 la sti to hOp tuye'n tinh 1 orbital s voi 3 orbital p tao thanh 4
orbital lai hoar' toan giting nhau; rai orbital lai 14i mang 1/4 tinh chat vs va
3/4 di-1h chat tvp.
1
Ws
SP;
2 2 Wp
Lai sp3 tao tit dien deu, goc gicta true cac dam may lai lien ke la 109°28'.
Hinh 3.6 bieu diAn lai sp3 va mot orbital lai sp3 (Hinh 3.7).

Cac orbital 4 orbital lai sp3

7
s Px Py Pz
Hinh 3.7. Mot orbital lai sp3
Hinh 3.6. Lai hoa sp3
Lai sp3 hay gap trong ho hop chat hitu co CnEl2n+2 va nhieu hop chat vo co.
VI du: phan tit CH4. Carbon cs trang thai kith thich có 4 electron dOc than:
by
1'
Bon orbital ws,,wp„, kvpy, vp, cia' a 4 electron dec than tham gia lai hod.
Cdc orbital lai hod to hop voi cac orbital vs cim 4 hydro tao phan tit CH4 có cat'
tao tii dien clew (Hinh 3.8).

Hinh 3.8. Su xen phu cac orbital trong cac ph5n tit CH4, NH3, H2O

VI du: phan tit NH3

So do lop electron hod tri cua nito:

Khi tao phan tit NH3, 4 orbital lai sp3 hinh thanh chita 5 electron. Nhtt
v4y có 1 orbital 14i chita 2 electron va goi la orbital khong lien ket. Cdc orbital
lai sp3 con lai to hop voi 3 orbital yrs dm 3 nguyen tii hydro. Nhu vay phan tii

128
NH3 là hinh thdp day tam gide va có mot cap electron ttt do. Do tdc dung ddy
cila cap electron khong lien ke-t, goc hod tri thu hep lai yd. bang 107°3.
VI du: phan tit H2O
Oxy có s6 electron lop hod tri bang 6
1\1,

Sdu electron nay d6u nam trong 4 orbital lai spa . Nhv vdy có 2 orbital lai
chila 4 electron va tra thanh 2 orbital khong lien ldt. Hai orbital nay có tdc
dung ddy, lam cho goc hod tri HOH thu hep lai 104°5.
— Lai hod sp2:
Lai hod sp2 la sit to hop 1 orbital ys voi 2 orbital Nip tao 3 orbital lai hoar'
town giong nhau, m6'i orbital lai mang 1/3 tinh ch6t Vs va 2/3 tinh chdt
1 2
SP2 =s + Wp

Truc caa cac ddm may lai nam tren mot mat phang, tao nhang goc 120°
ya hiidng ve' 3 dinh cua mot tam gide d6u (Hinh 3.9).

3 orbital lai sp2

Cac orbital s + p + p
Hinh 3.9. Lai hoa sp2

Mu" vdy a phan lop p con lai mot orbital khong tham gia lai hod. Truc
cUa orbital p nay vuong goc veil mat phang chfia truc 3 orbital lai. Lai hoa sp2
hay gap trong cdc hop chdt him co có lien ke't doi va nhieu hop chdt vo cd.
VI du: giAi thich cdu tao cua C2H4 bang lai sp2.
Nhtt da trinh bay o tren, carbon có 4 electron hod tri. 6 trang thdi kich
thich ca 4 electron d6u d trang thdi dOc than. Khi tao phan tit C2H4, yrs to hOp
vdi kvp„, tvp, tao 3 may lai. Orbital Nip, khong tham gia lai hoa có truc vuong gOc
vdi mat phang chiia true 3 may lai. Hai orbital lai cad. 2 nguyen tit carbon to
hop tao lien ke't carbon - carbon. 116n ddm may lai con lai to hop vOi 4 hydro.
Hai vp, caa hai nguyen tit carbon có true song song va xen phu nhau tao nen
lien ke't carbon - carbon this hai (Hinh 3.10).

129
 Hinh 3.10. So d6 xen phi) cac orbital khi tao phan ter C2H4
Vi du: xet CAI tao phan tit BF3
Phan tit BF3 có cgu tao tam gidc dgu nen c6 the giai thIch cgu tao phan
tit nay bang lai hod sp2. Bor va fluor c6 cgu hinh electron va so d6 electron nint
sau:
by
B (Z = 5) 1s2 2s2 2p1 1'

F (Z = 9) 1s2 2s2 2p5

Khi tao phan tit, nguyen tit B c6 lai hod sp2. Cdc
orbital lai nay to hOp voi orbital p ciia flour tao phan tit
BF3 (Hinh 3.11).
Trong nguyen tit B, sau lai hod sp2, con mot orbital
p trong. Day la orbital c6 the tigp nhan deli electron 0.1
do ciia phan tit khdc de tao lien Idt ph6i tri. (F3BNH3).
— Lai hod sp: Hinh 3.11. Si d6 xen
phi.) cac orbital trong
Lai hod sp là sit to hop caa mot orbital 'Vs voi mot ph5n tit BF3
orbital wp tao hai orbital lai c6 true nam tren mot &tang
thing. NI6i orbital lai mang 1/2 tinh chgt (vs va 1/2 tinh
chat Nip (Hinh 3.12).

bws + Nlp )

•
eoi

Cac orbital s + p 2 orbital lai sp

Hinh 3.12. SO d6 lai hoa sp
, VI. du: xet cgu tao phan BeH2. Nguyen tit Be ,có 2 electron hod tri '6 2s.
0 trang thai kith thIch 1 electron orbital 2s chuyen sang 2p. Khi tao phan
tit, cac orbital 2s va 2p dia. Be to hop \To:3i nhau tao lai hod sp. Hai orbital lai sp

130
to hop voi orbital is cua hydro tao phan tit thing. So d6 su xen phi cac orbital
trong phan tit BeH2 &toe bleu dien bang Hinh 3.13.

H Be
Hinh 3.13. So d6 xen phO cac orbital trong phan tit BeH2

Hai orbital py, pz khong tham gia lai hod. yang goc vol &tang thing chila
true cua hai may lai.
Loai lai hod nay hay gap nhung hop chat hitu cd c6 lien kdt 3 ya mot so
hop chat vo cd nhit BeC12, HgC12, HCN.
VI du: xet eau tao phan tit C2H2
M6i nguyen tit carbon c6 lai sp. Su xen phit cac orbital trong phan tit
C2H2 duoc bidu din bang so d6 sau (Hinh 3.14).

Hinh 3.14. So do xen phi) cac orbital trong phan tit C2H2

VI du: xet cau tao phan tit HCN

Thilc nghiem xac dinh 3 nguyen tit H, C, N trong phan tit HCN nam tren
&tang thing. Nhu vay cau tao cua HCN c6 thd gidi thich bang lai hod sp.
Nguyen tit carbon va nito deu c6 lai sp. Vi electron hod tri caa nits bang 5 nen
mot orbital lai sp c6 hai electron. Sit xen phu cac orbital trong phan tit HCN c6
thd bidu din bang mo hinh sau (Hinh 3.15).

H—C==-N:

Hinh 3.15. SCJ d6 xen phu cac orbital trong phan tt:f HCN

- Lai hod. sp2d:

Lai hod sp2 d la sit to hop tuye'n tinh mot orbital yrs, hai orbital yp va mot
orbital yd tao bon orbital lai giong nhau, m6i orbital lai mang 1/4 al-1h chat vs,
1/2 tinh chat y, va 1/4 tinh chat yd.
True 4 may lai hiking v6 4 goc mot hinh vuong c6 tam la nguyen tit c6 cac,
orbital tham gia lai hoa (Hinh 3.16).

131
 CN CN
Kieu lai hod nay hay g4p d nhung phut
vuong phang cua cac nguyen to nhom 8 c6
phoi tri 4.
VI du: ion phitc [Ni(CN)4]2- (se trinh
bay ci phAn phitc chgt). CN CN

Hinh 3.16. Ion [Ni(CN)4]2

— Lai hod sp3d:
Lai hod sp3d la sti to hop tuyen tinh 1 orbital s, 3 orbital p va 1 orbital d tao
5 orbital lai hoar' toan giong nhau. Orbital lai ditoc bie'u din bang ham song:

(W Wd AhWp)

Med orbital lai mang 1/5 tinh chgt s, 1/5 tinh chgt d va 3/5 tinh chat p.
Lai hod nay c6 clang hang thdp tam gide (Hinh 3.17).
VI du: PC15, TeC14...
Cl Cl

Cl Cl
Cl Cl

Cl Cl
Hinh 3.17. Phan tit PCI5 va TeCI4
— Lai hod sp3d2 (hoac d2sp3):
Lai hod sp3d2 la syt to hop tuyen tinh mot
orbital yrs vii 3 orbital Nip va 2 orbital wd tao 6
orbital lai gi6ng nhau. Cdc orbital hiking tit
tam cila mot bat di'e'n den 6 ctinh (Hinh 3.18).
TuST thuOc vao ca.'u hinh electron cila ion
trung tam va tac dOng ciaa cac tieu phan xung
quanh ma hinh thanh lai hod trong ho4c lai
hod ngoai. Hinh 3.18. Lai hoa so3d2
Kidu lai hod sp3d2 (hay d2sp3) hay gap d pink chgt.
VI du: cac phitc [Co(NH3)6]3+, [CoF6]]3-. Cd/u tao cac phitc nay se &toe trinh
bay d chitOng phUc chat.

132
 Cdc hop chat vo cd khdc cang có cau tao pfra.hop voi lai sp3d2, vi du SF6
va IF5 (lai hod ngoai).

3
(n-l)d2 ns np
Lai hod trong

3 (n-1)d2
np ns
Lai hod ngoai
Ta xet SF6. Lau huSTrih có Z = 16, cau hinh electron lop ngoai la 3s2 3p4.
trang thdi kich thich electron dude phdn b6 nhui sau:
by
'1' 1' 1' 1' 1'
Sdu electron hoe: tri cua Lau huSInh tham gia lai hod sp3d2. Sdu orbital
lai cua Lau huSTnh to hop voi sau orbital p cim fluor tao SF6 có cau tao bdt dien
de'u (Hinh 3.19).
Hop chat IF5 cang có kik lai hod ttidng tuf nhul SF6 nhang s6 electron
hod tri cua iod la 7 nen sau orbital lai có 7 electron, vay có 1 orbital lai chi a 2
electron nghia la iod chi có the ke't hop voi 5 F (Hinh 3.20).

F
F
Hinh 3.20. Phan t1 iF5
Hinh 3.19. Phan tit SF6

2.1.4. Thuyet Gillespie vet du' docin cau tao hinh hoc ceta phan ti
Cau tao hinh hoc cUa phan -at dude xdc dinh bang thVc nghiem. Tuy vay,
1ST thuyet lien kevt hod hoc cling cho phep du dodn cau tao nay. Nguyen lST cd
ban la sul day nhau cua cdc cap electron.
He du doon nhanh dang hinh hoc dia phdn tU)Gillespie data ra thuye't
VSEPR (Valence Shell Electron Pair Repulsion - stt day nhau gifta cdc cap
electron hod tri), not dung cd ban cila thuye't nay la: dang hinh hoc cUa phan

133
 tit la clang ma cac cap electron hoci tri duVc sap xe-p sao cho co the' giam cte-n tai
thdu nang luting day nhau giria chang.
Triidc khi dtt dodn hinh hoc cila cdc phan tii, Chung ta can ltiu y mot s6
diem sau:
+ Xet gidi hand cdc orbital hod tri s, p cua cdc nguyen to thu6c chu kY 2,
chu kY 3.
+ Dpi dodn cau tao hinh hoc ciia phan tit nao thi phai vie't &toe cong thitc
cau tao phan tit do theo Lewis.
+ S6 cap electron hod tri bao gom cap electron lien ke't va cap electron
kh8ng lien kel a 16p hod tri. Vi du: nits trong NH3 c6 4 cap electron
hod tri, 3 cap lien ke't va 1 cap kh6ng lien ke't.
H
H N:
H
+ N6u Oita 2 nguyen tii có lien ke't doi hay lien ke't ba thi ding chi chicle
coi nhii c6 lien ke't don (titc tinh 1 cap electron lien ke't):
Vi du: H—CaN gifia carbon va nitd chi tinh la 1 cap electron hod tri.
Nhv vdy, de di dodn eau triic khong gian mot phan tit ta can chu y den
s6 nguyen tit lien ke't voi nguyen tii trung tam, s6 electron khong lien k6t.
Trong cdc die'u kin nay, cong thi VSEPR cua hop chat dvoc bie?u di6n:
AXm En
Trong do m la s6 nguyen tit X lien ke't vdi nguyen tit trung tam A, n la s6
cap electron kh8ng lien ke't E caa nguyen tit trung tam. Nguyen tii trung tam
A phai có di8n tich hinh thitc phii hop v6i d6 am din dm no.
Ta xet cdc trVang hop cu th6.
*m+n=2
N6u m = 2 n = 0, phan tit thang hang.
Vi du:

BeH2 H—Be—H

HCN H—C=N

CO, 0=C=0

Nhu v4y quanh berili (Be), carbon trong cdc hop chat tren dvoc coi chi co
• 2 lien ke't. De electron cua hai lien ke't nay day nhau y6u nhat thi goc gicia hai

134
lien kel phai lon nhg.t. \Tay, trong cac hop chgt nay electron hod tri cila Be, C
tham gia lai hod sp la plra hop nhA (g6c 1800).
*m + n = 3, c6 hal kha nang:
+ m = 3 n = 0, nhu A1C13, CH3+, NO3 se c6 cgu tao dang hinh hoc tam
gide phang.
+ m = 2 n = 1, gap a nhiing ion, phan tit 3 nguyen tit nhu: 03, SO2 , NO2 ,
NOC1 cac phan tit loai nay c6 eau tao gap khdc.

03
cce SO2
CCe
NOCI

0
/°\ 0 0
/0
Thuc chA ca 2 trtaing hop tren d'du phU hop v6i lai sp2. Voi cau true nay,
g6c giita cac cap electron hod tri la 16n nhat nen sic day gala cac li8n ldt nhO
nh6t.
*m + n = 4, co 3 kha nang:
+ m = 4 n = 0: CH,,, NH,,+, SO,1 2 - ch.'u tit c6 dang hinh hoc la tit din de'u.

N
+ m = 3 n = 1: NH3, C103- , caTu tit c6 dang hinh hoc thap day tam gidc.
/
H H H 0 0 0
• m = 2 n = 2 : H 2O, C102- , can tit c6 dang hinh hoc ggp khdc.
•0 •
/ \
H H 0 0

Vay tat ea cac trUang hop tren, phi]. hop veil lai hod spa.
Co th8 m6 rOng thuye't tren cto'i v6i cac phan tit ma electron hoa tri cJ
phan lop s, p va ca. d.
* m + n = 5 : lai hod sp3d, c6 3 kha nang:
+ m = 5 n = 0 : PC15 , Fe(C0)5
+ m = 4 n= 1 : TeC14 , IF4+

135
 + m = 2 n = 3 : XeF2
* m + n = 6 : lai hod sp3d2, có 3 kha nang
+ m = 6 n = 0 : SF6 , IF60
+ m = 5 n = 1 : BrF6 , IF5
+ m = 4 n = 2 : IC14 , XeF4
CO the torn tat quan he Oita gid tri cua (m+n) va dang hinh hoc cila phan
tit nInt trong Bang 3.2 va Hinh 3.21.
Viec tim tong thilc AXmEn dtioc th4c hien don gian: viet ding thfic phan
tit theo thuye't Lewis, tinh so nguyen tit X lien ke't vOi nguyen tit trung tam A
(tfic tim s6 m) va s6 cap electron khong lien ke't (hay electron dec than kh6ng
lien k6t) cira nguyen tit A (xdc Binh n).
Bang 3.2. Cac dac tinh cau trOc cua mot s6 phan tit AXm
(nguyen to' trung tam A du'dc viet dam net)
Cong
m+n
Dang sa), xe-p
th tit So d6
Dang hinh hoc dm Phan tit co Phan tit co
m+n phan tit AX„, lien kat don lien Fat b6i
AXmEn
2 Doan thang BeH2 CO2
AX2Eo a thAng
BeCl2 HCN
BH3 SO3 , NO3-
AX,E0, b tam giac deu
3 Tam giac au AlC13 HCIO2
SO2 , NO2
AX2E, ggp khuc SnCl2
NOCI
AX4 E0 d to' diOn
CH, S042-
NH4+ POCI

4 Ttt dien NH3 SOBr2

AX3E, e thap day tam giac
OH3+ CI03-
OF2
AX2E2 f gap khOc C102-
NH2-
PCI5 SOF,
AX5E0 g thap doi day tam giac
As F5 Fe(CO)5
IF4+ 10F3
AX,Ei h tit dien kh6ng au
Thap doi ba TeCI4 XeF2O2
5
phu'dng BrF3
AX3E2 dang T
IC12(C61-15)
13
AX2E3 thAng
XeF2
1F50
AX6Eo k bat dien SF6
[102(0F)4]
6 Bat dien BrF5
AX5E, thap day vuong XeF4O
SbCI5
ICI,-
AX4E2 m vuong phAng
XeF4

136
 1 .

s) AX2E0 b) AX3E0 c) AX2E1

d) AX4E0 c) AX3E i n Ax,E2

g),4 X5E0 h) .4 X4E 1 I) A X3E2 j) AX2E3

k) A X,E0 1) AX5 Ei AX4 F2

Hinh 3.21. So d6 cau trk khong gian cac phan tU clang AX,,

2.1.5. Ccic loaf lien het hay geip

Trong nguyen tit, electron hod tri có the o orbital s, orbital p va orbital d
hoac orbital lai hod. Vi vay khi tao lien k6t giita cac nguyen tit, cac orbital xen
phi]. theo nhieu kik khdc nhau tao ra cac kik lien ket. He don gian, kik lien
k6t trong phan tit duoc kST hi6u la lien ket a, it, 8...
* Lien ket a (sigma):
Lien ket a la lien k6t ma ddm may electron lien ket có doi xling quay
xung quanh truc lien ket.
Loai lien k6t nay la ket qua xen pha cira cac may s-s; s-p; p-p; s-dz2; d22-
dz2 (Hinh 3.22).
Ngoai ra lien k6t a con có the hinh thanh do si xen phu cac may lai hod
voi may s, may p hoac gifia cac may lai voi nhau.
DO ben cila lien idt phu thuOc vao mite do xen phu nhau cira 2 may
electron tao lien k6t. Vi vay lien k6t s-s do may electron s phan tan theo tat ca
cac piniong, xen phu nhau it nhat, nen kern b6n nhat. Mat do electron cila

137
may p tap trung hai philOng nen eó kha nang xen phi nhik. Do do lien ke't s-
p ben hdn lien ke't s-s va lien ke't p-p ben hdn lien ke't s-p, va ben nhat là lien
ke't a gitia hai dam may lai vi dam may lai chi tap trung 176 mot phia nen xen
phu nhau nhie'u nhat.

s-s s-p p-p

Weo c><}{Deo oecoSo

s - c1,2 p- di2 - di'
Hinh 3.22. Cac may electron xen phu tao lien kgt

* Lien ket rc (pi):

Lien ke't TE la lien ket c6 true lien ket nam trong mat phang doi )(ling eila
dam may lien k-gt.
Lien ket it hinh thanh do ski xen phi efia eac orbital p c6 true yang g6c
vdi true lien ket, giiia orbital p va d, gifia hai dam may d (Hinh 3.23).

%MI
p-p p-d d-d

Hinh 3.23. Sy xen phi] cae orbital tao lien kat it

Mile do xen phi cua cae orbital lien kgt it nlie) hdn mile dO xen pha cua
ede orbital lien ket a nen lien ket TE kern ben hdn lien ke't a.
* Lien ket 6 (delta):
Lien ket 5 hinh thanh do si xen phi].
ca 4 canh dm orbital d eila 2 nguyen tii tao
lien ket (Hinh 3.24).
Loai lien ldt nay It gap hdn lien ket a
va . Lien ket 5 chu yen gifia cac nguyen tii
kim loai - kim loai trong met s6 hop chat. d-d
Hinh 3.24. Ski xen phu 2 orbital d
tao thanh lien 1(61 S.

138
 Trong thttc td mot s6 hop chat chi có lien kdt a. Vi du:

H2 H—H

HC1
CDC) H—Cl

C12
C>K3D<DI CI—CI

H
CH4 H—C—H
111

CO nhidu hop chat có Ca lien lidt, a va it. VI du phan tit C2H4, N2

(Hinh 3.25).

H2C— CH2

Hinh 3.25. Cac lien kgt tong C2H4 va N2

Trong boil lien kdt a hinh thanh tren co sa xen phi cua 4 orbital s
cila hydro voi 4 orbital lai ciia 2 nguyen tit carbon. Hai orbital lai con lai cua
m6i Carbon xen phi vdi nhau tao lien kdt a this 5. Hai orbital p khong tham
gia lai hod xen phi nhau tao lien kdt it.
Doi veil N2, tat ca lien kdt a va it ddu ditoc tao nen bai sti xen phu cua cac
orbital p thuan khidt.
CO mot so- hop chat lien kdt a va TE hinh thanh do sit xen phi cac dam
may d. Nhfing hop chat ma lien kdt giiia 2 ho4c nhidu nguyen tit hinh thanh
do slt xen pha cac orbital d goi la clasto.
VI du phitc [W2C1,r- (W có Z = 74). Cau hinh electron cita W nhii sau:
is2 2s2 2p6 3s2 3p6 4s2 3d10 4p6 5s2 4d10 5p6 6s2 4f14 5d4

V437 W3+ có 3 electron
nguyen tit W có cac lien kdt
tit nghich tit.
a 5d (5dyz 5dxz 5d,2 ). Trong phan tit W2C10, hai
a 2 2
dZ -
ndxz-dxz Thdyz-dyz (Hinh 3.26). Do do phan

139
 C1 a 3-

z Cl — w w —cl
/ / \ CI
5dz2 - 5dz2 Cl Cl
Cl

5d 6s 6p

Lien ket Lien ket

W= W NAT - Cl
dvz
Hinh 3.26. Cac lien ket trong ion phac
[W2C19]3-

dzz - dzz
Trong mot so hop chat, gifia hai ion kim loaf trong mot phan tit hinh
thanh 3 loai lien k6t 6, TC, 8.
VI du: trong ion [Re2C18] 2- gifia Re va Re có 4 lien ket:
6 dz2 Tcdxz ndyz 6 2 y2
Re (Z=75) co ca"u hinh electron
is2 2s2 3s2 3p6 4s2 3d10 4p6 5s2 4d10 5p6 6s2 4f14 5d5
va so do electron:
-r
5d5 6s2 6p°
Vay Re' c6 cau hinh electron tom tat va sd do electron nhtt sau:

5d4 6s° 6p°

5d4 6s° 6p°
Cac lien ket trong ion phitc Re2C18 dttdc biL din d Hinh 3.27.

140
 • 2-
Cl
Cl, Cl
Re Re
C1
dz2
Cl Cl

Lien ke't Lien ke't

Re Re Re - Cl
Thdyz

%MI Hinh 3.27. Cac lien kgt trong ion phut

[Re2C18]2

ltdxz

6X 2-y2
Nhan xet: thuye't VB da lam r6 tinh chat doi electron dung chung trong
thuyet Lewis: lien ke't duoc hinh thanh nh6 ghep doi hai electron d6c than c6
spin d6i song va khi hai dam may electron xen pima de tao lien ke't thi mat 4
electron gifia hai nguyen tii cling tang len.
Thuygt VB la co sa de xac dinh boa tri spin cUa cac nguyen to. M6t &mg
gOp quan trong nita cUa thuye't VB la giai thich mot each dinh tinh eau true
khong gian phan tit bang thuye't lai hod.
Song thuye't VB clang con nhigu han ch6 nhu khong giai thich thick s.kt ton
tai cua cac ion phan tit nhu H2+, He2 +...., khong giai thich duoc sit thieu
electron trong B2. Ngoai ra tinh chat quang, tinh chat tit cila phan tii cac hOp

141
chat cang chita giai thich &toe bang thuye't VB.
2.2. Pluicing phap orbital plifin tit - phitc:ing phap MO
Phitong phap orbital phan tii (MO) c6 nhang Juan diem co ban sau:
+ Phan tit dttoc coi la mot the th6ng nhat cua nhi6u hat nhan va
electron. Weii electron chuyen dOng trong truang cua cac hat nhan va
electron con lai.
+ Cling nhii trong nguyen tit, tat ca electron trong phan tit dttoc phan b6
tren cac orbital phan ti ttiong Ting theo nguyen 1ST vung ban, qui tac
Hund va nguyen 1ST Pauli. Cac orbital nguyen tii ky hieu la s, p, d, f,
thi cac orbital phan tit &toe ky hieu a, it, 6, (p.
+ Cac orbital phan tit (MO) la to hop tuye'n Utah cac orbital nguyen tit
(AO) tao nen phan tii (goi la phtiong phap MO - LCAO: Linear
Combination of Atomic Orbitals).
Wm° = ECi NIA0i
Cac AO tao nen MO phai thoa man cac die'u kien sau:
Co nang Wong gdn bang nhau.
Co do xen phit ro ret.
Co tinh doi xifng giong nhau doi vdi truc n6i cac nguyen
+ Cac MO hinh thanh tit AO cua hai nguyen tii goi la MO climb xit. Cac
MO hinh thanh tit AO cila nhieu nguyen tit goi la MO phan dinh xif
hay MO nhieu tam.
2.2.1. Plutung phcip MO va ion plain hi' H2+
Day la he phan tit don gian nhat: ion phan tii H2+ g6m hai hat nhan va 1
electron. Day ciing la he g6m nhang hat vi mo nen viec nghien cifu phan ti
H2+ phai trong khuon kh6 cd hfdrig tit, nghia la mu6n xay diving ham MO phai
giai phitong trinh Schrodinger.
e
H Nimo = E
D6i vdi ion phan tit H2+ (Hinh 3.29)
-Loan tit Haminton c6

112 1 1 1
H = - 87r 2m V 2 + e2 ( ----)
rAB ra rb
rAB
Tit pinking trinh tren na.ng Wong E
cua he &toe xac dinh bang bieu thitc: Hinh 3.29. So d6 ion ph5n tit H2+

142
 E Sy mo H ymo dV
y2mo dV

Toan tit H da biet, vay mien xac Binh E can phai bie-t ymo.
* Xay dung ham WMO vay nghia ham ymo:
Xay dung ham ymo: ta coi electron duy nhal trong H2+ chuyen cl6ng trong
trtiang hai proton A va B. Khi electron chuyen dOng sten On proton A
thi tac thing cita proton A len electron tang ddn va su tac clang cila proton
B giam ddn. Den met hic nao do, electron rat gdn proton A va rat xa
proton B, nen c6 the coi la chi chiu su tac &Ong ciia proton A. Lie do MO
ft:6 thanh AO WA. LST luan tiling tv, khi electron gdn proton B thi MO tra
thanh AO yB. Orbital phan tit (MO) cila ion phan tit H2+ là to hop tuye'n
tinh kvA VA WB-
W MO = CA WA + CB WB
Cung nhU ham y, cac he s6 CA, CB la trong hiOng thong ke cua WA va yB
va chi c6 y nghia vat ly khi duoc binh pinking (nghia lad clang CA2 , CB2).
Vi kha nang c6 mat cUa electron d proton A va proton B la nhau nen
CA2 = CB2. Tit do ta c6 CA = ± CB. Thay cac gia tri CA va CB ta c6:
W m+ CA Ili A CB B

= CA`Y A - CB `Y B
MO-

- Y nghia cila ham y: c6 the bieu din sv bie'n thien hai ham va theo
true lien kat A-B.

WA

A
Hinh 3.30. Phan b6 ham w + va y. theo truc not tam A-B
Neu bieu din phan b6 ham NJ+ va y_ trail mat Cat chlia truc lien kat A-B,
ta c6 hinh clan gian.

Hinh 3.31.
111,
Phan b6 ham tv, va
OD
vv_ ten mat cat chi:fa truc A-B

143
 Cung c6 the bleu din mat d6 xdc sudt có mat dm electron theo truc A-B.

A +2N,Awi, B
2 w2 w2 2 w
w2+ y 2A +
+ 2 Ni A W B
V/ + T A T B T A T B
Hinh 3.32. Phan b6 mat do electron theo truc lien ket

Qua cdc cach bleu di6n, chung to deu thd.y d6i v6i ham v+ c6 sV tang ya
ctoi v6i ham yr_ có sv giam mat do electron gilta hai hat nhan A va B.
Neu thay NJ+ va y_ vao bieu thitc tinh nang liidng se ditOc hai gia tri E+ va
E_. Neu goi a la nang Wong ciia electron trong nguyen tit hydro thi qua tinh
town E+ nhO hon a met gia tri va E_ 16n hon a mot gia tri 13. Sd d6 nang Wong
cila H2+ có dang (Hinh 3.33).
at,
E
13 la tich phan trao d6i va Won
luon am
E+ = a + 13
E_ = a - 13
E
GIs
Hinh 3.33. So d6 nang cac orbital H2+

Nhit vd.y y1 not len sii phan b6 electron Oita 2 hat nhan A-B va nang
Wong cUa he.
Doi vOi xi/ mat d6 electron Oda A-B tang, nang lvong E+ giam nen NJ+ là
MO lien ket. Vi 2 orbital dang xet la orbital yr s (hay s) nen MO lien ket la as.
Ngttoc lai d6i voi NJ mat d6 electron giaa A-B giam, nang Wong cila he tang
nen yr_ goi la MO phan lien ket va ky hieu la as*.
* Cdu hinh electron va sii hinh thanh phan tit:
Trong I-12+ chi co 1 electron va theo nguyen 1ST yang ben electron cittioc lgp
dAy tit mite nang Wong thdp nhdt (titc e vao as) nen cdu hinh electron cita H2+
la asi.
Mat khdc, phan tit hinh thanh chi khi giita cdc nguyen tit có lien ket. Khi
s6 lien ket cang lon phan tit cang ben. Theo cdc thuyet lien ket hod hoc phi cd
Wong tit va co Wong tit, trong moi orbital lien ket t6i da c6 2 electron. Do do s6
lien ket N chtoc tinh theo cong thfic:

144
 *
n - n
2
N : s6 lien Idt.
n : s6 electron lien li6t.
n*: s6 electron phan lien 1c6t.
N6u N 0 phan tit hinh thanh, con N = 0 phan tit khong hinh thanh.
Trang hop H2+, tit so do nang Wong to thay s6 electron lien ke't bang 1, so
electron phan lien lie't bang 0, nen s6 lien k6t la:
1-0 1
2 2
Vay N 0 nen ion phan tit H2+ ton tai. Thuye't VB khong giai thich thick
di6u nay.
* Phtiong phap MO va cac phan tit khdc thu6c chu ky 1: H2, He2+
Cdc phan tit H2 va He2+ thu6c chu IcS7 1 nen c6 so d6 nang Wong giong H2+
(Bang 3.3).
Bang 3.3. Cac phan tit chu kji 1
Phan tit H2 He2` He2

•
C7.11 5.)
CYLl_s)

S6 lien kat (N) 1 0

2
Cau hinh electron G (Is) Kh6ng c6

2.2.2. Phao'ng phcip MO va cac phan gong hach A2 thuOc chu 16 2

Cdc nguyen to thu6c chu lcST 2, ngoai is con c6 electron hoa tri 2s,
2pz2py2pz va chi c6 electron hoa tri tham gia tao lien ke't. Song do tinh chat,
cac AO hod tri ding tinh chat moi c6 th6 to hop voi nhau tao MO. Con cac AO
khong ding tinh chat doi xiing khong to hop voi nhau (Bang 3.4). Gang nhtt
trong H2, 2 AO to hop vdi nhau se tao mot MO lien ke't va mot MO phan lien
ke't. Ta xet cac orbital p (Hinh 3.34).
pzA voi pzB tao lien 1dt a:

c>(
PZA PZI: MO az* (flk)

145
 P, PZB MO a, (1k)
pth vdi pxB tao lien kgt rc:

PxA PxB MO 7C px* (flk)

O MO TC px (1k)

Hinh 3.34. Sit to hop cac orbital p

Bang 3.4. Cac orbital có kha hang to hop va khong to hop &roc vai nhau
(truc lien kgt la truc z)
Orbital B
Orbital A
To hcip ducic Kh6ng to hcsp ducgc
s , p, Px Py
Pz s, p, Py Px
Py Py S , px Pz

Px Px S Piz Py
+ Sti hinh thanh cac phan tit 02+, 02, F2
Cac dit li8u quang phei cho thgy nang ltiong cac MO cila cac phan tii
02+, 02, F2 (Ne2) tang ddn theo trkt
a(1s) < as(1s) < a(2s) < a*(2s) < a2pz < n2py = n2px < TC*2py = TC2px < a*2pz
Trong thvc tg, st1 thing g6p is vac) li8n kgt khong clang kg nen c6 thg 136
qua (kS7 hieu KK) va cgu hinh electron dia phan tii rut gon:
* * = * *
KK a(2s) < (2s) a2pz < 712py = n2px 2py 2px a 2pz
Sd de; nang Wong orbital nguyen tii va orbital phan tii cua cac phan tit
dtioc bigu din ii Hinh 3.35.

146
 02+ 02 F2 (Ne2)

2pz

*2py TE.2px T 1 if 1\1, 1\1, if

2p 2p
TC2py n2px if if if if if if if tl,
CF2pz if if if if
, 1\1, T,1,' 1\1, 1\1,
—<
,,' ,,
)—
a*(2s)
2s\\ . ,/ 2s a(2s)

Hinh 3.35. SO d6 nang ludng coa 02+, 02, F2, (Ne2)

Tit sd d6 tren có the7 nhan tha'y Ne2 kh6ng ton tai vi N = 0 con cac phan
tit 02+, 02, F2 có ca"u hinh electron nhu sau:
02' : KK "„.2(2s) ,,*2 / .2 \ ,.*1
" (2s) " 2pz k" 2py " 2px, " 2py
02 : KK a2 (2s)a*2(2s) CY22pz (Th22py 7t 2px)OC*12py g*12px)
F2 : KK a2(2s) a*2(2s) C722pz (7r22py = n22px) (71*22py n*2 2px)
Tit sd do va cKu hinh electron chting to nhan th'dy 02', 02 thuan tit
Phudng phap VB khong giai thich cludc tinh chat nay caa oxy.
+ Su hinh thanh cac phan tit B2, C2, N2, N2+
Khac vdi nhorn tren, cac dit lieu quang pho phan tit dia nhom nay cho
th'ay nang ludng caa a(2.pz) cao hdn nang ludng cila va 7C(2p,o. Do do ca"u hinh
T(2py)

electron cila cac phan tut nay &doe vieI:

KK a(2S) < a+ (2s) < 2py = n2px < 2pz < Ths2py = its2px < CY*2pz
Sd d6 nang ludng cua cac nguyen tit va phan tit Bo, carbon, nitd, ion
phan tit nitd có dang (hinh 3.36).
B2 C2 N2 N2+

2pz

2py 2px

MIIMM 2pz -4–

2p 2p
n2py TE2px T1, 'N.

2s ,/ 2s a(2s)

SO lien k6t 1 2 3 2,5

Hinh 3.36. Sc d6 nang Iitdng cac phan tit B2, C2, N2, N2+

147
 Tit sd do nang Wong, cgu hinh electron cac phan tit B2, C2, N2 c6 the vigt:
P.: KK a2(20 a*2(2s) (7C12py = n12px)
C2 : KK a2(20 a*2(2s) (7c22py Th22pz)
N2 : KK a2(2s) a*2(2s) (n22py = 7.(22pz) a22pz
N2+ : KK a2(2s) a*2(2.) (7(22py = rci2px) al2p.
Tit so de. nang Wong c6 the not phan tit B2 thuan tit va N2 ben nhgt vi s6
lien kgt trong phan tit N2 lon nhgt.

2.2.3. Phuyng phcip MO vet phein tez' cidng hach A2 chu lej, 3

6 day chii ygu de cap den cac nguyen to thuec phan nhom chinh (nhom
A), nghia la de cap den sti to hop cac orbital hoa tri 3s, 3p de tao thanh cac
MO. Electron lop n = 1 (lop K) va lop n = 2 (lop L) khong tham gia lien ket nen
trong c'gu hinh electron phan tit ky hieu KK, LL.
Cac dil lieu quang pho phan tit cho tha'y cgu hinh electron phan tit cua
cac nguyen to chu kSr 3 sap xgp cac mite nang Wong theo trat tit giong cgu
hinh electron cita phan tit Oxy.
* _ *
3px < a 3pz
KK LL a(3s) < a*(30 < a3pz < 3py = 3px TC 3py TC*
Vi du: phan tit C12 (Hinh 3.37)
Cl c6 lien tich hat nhan Z = 17, nen cgu hinh electron cila nguyen tit c6 dang:
1s2 2s2 3s2 3p5
K L
4+,.
4+ 4+
Hinh 3.37. So d6 nang ludng cua phan
tii Cl2

4+< >4+
Cgu hinh electron cila phan tit C12:
er*2 < < = < ,*2 = ,,*2
KK LL (3s) < (3s) "" 3pz 3py " 3px " 3py 3px
S6 lien kgt ciia Cl2
8-6 = 1
2
Phan tit Cl2 nghich

148
2.2.4. Phu'ung phetp MO vet ph&n ti hai nguyen tei di hach AB
Phan tit Om 2 nguyen tit di hach AB cang &toe nghien citu bang pinking
phdp MO - LCAO. Nhu dot vdi phan tit 2 nguyen tit dong hach, 2 AO cila 2
nguyen tit di hach khi to hop vdi nhau cling tao thanh met MO lien ket va met
MO phan lien ket.
W + = ciwA c2 1VB

— C3 WA C4 kV B

Nhung vi A, B la 2 nguyen to khdc nhau, nen WA va WB thing gop vao viec

tao thanh orbital phan tit (MO) cang khdc nhau. Nguyen to nao c6 de am dien
len hon thi AO cila nguyen to d6 dong gop van sit hinh thanh MO lien ket
nhieu hon, va. MO phan lien ket It hon. Ngttoc lai nguyen to nao c6 de am dien
nh6 hon, thi AO cita nguyen to do dong g6p vao MO lien ket It hon yd. MO
phan lien ket nhieu hon.
VI du: trong phan tit AB, nguyen to A c6
do am dien nhO hon nguyen to B (XB > XA) thi
a
MO lien ket ( ) C2 > C1 con a MO phan lien
ket (NJ ) C3 > C4. Ve nang Wong MO lien ket
gan vdi AO c6 do am dien lon, con MO phan
lien ket gan vdi AO dm nguyen to c6 de am
dien nhO.
SO de nang hiong cita phan tit di hach AB
yen nguyen to B c6 do am dien lon hon nguyen Hinh 3.38. So d6 nang
to- A duoc the hien d Hinh 3.38. cua phan tit AB
Trong Hinh 3.38, b noi len ski khac nhau v6 do am dien cila 2 nguyen to A
va B, nghia la noi len mitt de ion trong lien ket, con a not len tinh dong hod tri
trong lien kgt.
- Phan tit di hach AB thuec ding chu kST 2, vi du CN, CO, NO+:
Nguyen tit cdc nguyen to chu kST 2 c6 orbital hod tri 2s, 2p nen so do nang
Wong cila AB c6 the bleu dien nhu sau (Hinh 3.39).
Cdc phan tit d'eu nghich tit ya c6 so lien ket N = 3 gieing nito, cd'u hinh
electron cita cac phan tit cung giong cg.0 hinh cua phan tit N2 nen nhieu tinh
ch'dt cua eh-Ling cang gio'ng N2.
KK a2 (2s) < C5 (2s) (722pz
n22py — 7t22px <
- Phan tit di hach AB trong do A va B khdc chu ky, vi du HF

149
 CN- CO NO

a2pz
.„,.
Th*2py '4 2px

CT2pz if
'..._ . _...
n2py n2px tl. T.1, 'N. 1'1. '1'.1, T.1.
Cr (2s) if l'.1.

.. . _... .- C5(2s) n
AO (A) MO AO (B) N 3 3 3
Hinh 3.39. SO do hang lacing phan tit di hach AB chu kjr 2
Nguyen tii hydro c6 1 electron duy nhgt.
Nguyen tit F c6 7 electron hod tri na.m O' cac
orbital 2s, 2p„, 2py, 2pz. Orbital is cita hydro
to hcip voi dz, dia. F tao MO lien k6t va MO
phan lien ket. Cac AO khOng tham gia tao lien ''.., 4+ ++ :--t- N- 4--$-
ldt: 2s, 2py, 2p. goi la cac orbital khong lien
k6t. Cac orbital nay van gift mile nang Wong
nhu khi trong nguyen tit F (Hinh 3.40).
4+
4+
2.2.5. Phiwng phcip MO vai phetn tit' nhiesu Hinh 3.40. So d6 hang litcing
nguyen to cilia phan tit HF

Tren co sii pinking phap MO thong ta eta nghien ciiu lien k6t hod hoc
trong cac phan tit 2 nguyen tit, d6ng hach (A2) va di hach (AB). Tgt ca cac
orbital phan tii du xay dung bang each to hop tuy6n U./1h cac orbital nguyen
tit (AO) (pinking phap MO,- LCAO). Qua tinh toan, nguoi ta nh'an thy tit cac
AO cfia 2 nguyen tit c6 the xay citing cac MO lien k6t, MO phan lien ket va c6
the c6 ca MO khong lien idt (VI du 6 phan tit HF, Hinh 3.40).
Doi voi phan tit nhi6u nguyen tii (n nguyen tii), viec xay clUng cac orbital
phan tit cang duastren phuong phap MO - LCAO: tit n orbital nguyen tit c6 do-i
xiing thich hop, bang phep to hip tuy6n tinh, xay dUng n orbital phan tit trong
do c6 MO lien ke't, MO phan lien k6t va ca MO khong lien k6t. Cac MO nay là
MO nhi6u tam (n tam). Hay not each kh6.c cac MO nay giai toa tren toan bi)
phan tii.
, Vi du xet phan tit BeH2 g6m 3 nguyen tit ding nam tren mot &tang
thang. Hydro c6 1 electron, berili c6 c'du hinh electron 1s22s2, berili 6 chu kST 2
nen c6 cac orbital hoa tri la 2s, 2p. 0 trang thai kith thich 1 electron 2s2
chuyen sang 2p:

150
 by

Khi tao phan tit BeH2, tren cd se, phitong phap MO - LCAO orbital is cua
hydro to hOp tuye'n tinh voi. 2s va 2p, caa berili tao cac orbital a lien lcgt va
phan lien ke-t.
C I W2s + C2 (Wlsa WIsb)
(G2s)

C3 W
r 2s C4 (Wlsa WIsb)
W—2s(a) =

II'- (2s)

Hb
W+ (2s)

W+ (6 ) C 5 W2pz + C6 (Wlsa Vista)

2pz

C 7 W2pz ± C8 (Wlsa WIsb)

(CY 2pz )

Ha Hb
0
Ha Be Hb
Do al-1h chA do'i )(tang cac
orbital w2py va tv2p, khong to hcip 2p
voi 2 orbital Nils dig hai hydro.
Tx
Hai orbital W2py va w2p„ goi la TCY

orbital IT khong lien ldt. Do am 2s '.•, I

dien cila hydro lon hdn d() am .., ," —T—
dien cua berili. - Nhit v437 sd d5 T.1,
riAng luring cua phan tit BeH2 có
the bieu di8n nhlt hinh 3.41 (as', Be BeH2
6p2 giai toA tren 3 tam). Hinh 3.41. So d6 nang luring phan tit BeH2

151
 VI du xet phan tit BeF2: day la phan tit c6 lien ket it giai toa 3 tam, IC
khong lien ket va là phan tit 3 nguyen tit thing hang.
Be Z=4 cau hinh electron 1s2 2s2
F Z=9 eau hinh electron 1s2 2s2 2p5
F c6 7 electron hod tri 6 cox orbital 2s, 2px 2py 2pz. Do mifc nang lgOng 2s
va 2p trong F khac nhau nhieu nen su tham gia tao lien ket cila. orbital 2s
khong clang ke va c6 the b6 qua. Nlitt vay, 4 orbital nguyen tit cila Be (2s, 213.,
2py, 2p) to hop voi 6 orbital 2p cUa 2 nguyen tit F tao 10 orbital phan tit.
Trong d6, 4 orbital phan tit ding a (0.1k, 0.nk, cyzik, cyzflk) hinh thanh do to hop
cac orbital 2s, 2pz cUa. Be voi 2 orbital 2pz cad. 2 nguyen tit F. 6 orbital 2p con
lai (2px, 2py cila Be va 2py, 2px cila. 2 nguyen tit F) to hop tao 6 orbital phan tit
Bang n Om 2 orbital TC lien ket 3 tam (7r.ik, icylk) , 2 orbital it phan lien ket 3 tam
(my', Tcxfik), con 2 orbital rc khong lien ket (Thymic, 7r.k1k.) nam 6 2 nguyen tit F
(Hinh 3.42). Electron hod tri lam day cdc orbital phan tit the hien 6 Hinh 3.43.

Be)
lk lk
as Gs

Ilk

klk
TC,
Hinh 3.42. Cac orbital aslk, cysflk azlk azflk Tcx1k , itxflk Thxklk

152
 Ilk

6,

Ilk ilk

2p •
klk klk
TY
r 7t
4+ 4+ ± 2P,
,
,•

lk Ik
4+ 4+ ± 2p,
2s ThY Thz

lk

lk
6t
Hinh 3.43. So do nang lu'ong cab orbital trong phan tit BeF2

2.3. Orbital phan tii dinh xii, phan dinh xii va phticing phap MO - Huckel
Qua cac thuydt lien kdt da trinh bay nhtt thuydt dOng boa tri ciia Lewis,
thuydt VB, thuyet MO cluing ta thay n6i len 2 khai niem MO dinh xii (lien ket
dinh va MO phan dinh xit (lien ket phan dinh xii). Ta xet 2 khai niem nay.
* Orbital phan tii dinh xii (MO dinh xi°
MO dinh xif la cac MO hinh thanh do to hop tuyen tinh cac AO chi ciia 2
nguyen,tit . Dd bidu dien mot MO dinh xii ngttoi ta dung 1 gach ngang (theo
cach bleu dien cua thuydt Lewis).
Nlitt vay, tat ca cac MO trong phan tit 2 nguyen to clang A2 (dOng hach),
AB (di hach) deu la MO dinh )(It ode electron lien kdt khu trti gifia 2 nguyen
tit tao lien ket.
Van de MO dinh xii trong phan tit nhieu nguyen tit phitc tap hon. Thuyet
deng hod tri Lewis, thuyet VB c6 chung quan diem: cac MO trong phan tit
nhieu nguyen tit ciing la nhiing MO dinh xii. Thuydt MO cho rang phan tit la
mot he thong nhat, cac MO hinh thanh nho to hop tuyen tinh cac AO cila cac
nguyen tit tao nen phan tit, nen MO la nhieu tam (giai toa). Phan tit cang
nhieu nguyen tit, tinh phitc tap trong viec hinh thanh cac MO cang tang. Nhu
vay, khai niem MO dinh ,cif khong coy nghia.
Tuy nhien, del v6i nhieu phan tit, bang thus nghiem, nguoi ta nha.n flay
cac electron c6 xac suat lon cJ mien gift. 2 nguyen tit xdo dinh iing voi mien
khu tru cua cac cap electron lien kdt kinh dien va cac dac trting cua mot lien
kdt (kho.ng each gicia 2 nguyen tit, nang trong 1 phan tit it phu thu6c
vao ban chat dm cac nguyen tit khac trong phan tit
\Pe mat lY thuyet, da s6 cac phan tit bang phep bidn d6i toan hoc thich
hop, cac MO khong dinh xii da tam c6 the chuyen ve clang cac MO dinh xt 2
tam. Meii MO 2 tam thu duoc c6 mot trang thai lien ket va mot trang thai
phan lien ket.

153
 Ta xet truing hdp phan tif BeH2: trong phAn "phtiong phdp MO \Ted phan tit
nhieu nguyen tit" CS teen ta da xay ding 2 MO lien ket khong ctinh xit c6
CI W2s + C2 (Wlsa Wlsb )
(G2s) =

W+ ) — C5 NJ2pz + C6 (Wlsa Wlsb )

2pz

Do ski del ximg nen mot each gin dung, c6 the thifa nhan C1 = C5, C2 = C6
va neu thanh lap to hdp tong, trii hai MO khong dinh xit tren, ta se chtoc 2 MO
Wong (liking va :
(52)

= ) + C 1(111 2s + 2pz) + 2C 2W 2sa

) T (a + (a )
2s 2pz

=W 2C2W2sb
6 CI (W2s W2pz )
( 2) T + (CY2s ) W (G2pz ) =

NInt vay kV_ la to hdp tuyen tinh cac AO cUa Be voi AO dia
`)i )
nguyen tit hydro a (Ha), w (cy la to hop tuyen tinh cac AO cUa Be voi AO cUa

nguyen tii hydro b (Hb). Dieu nay chling tOyl , W (a2) la cac MO dinh xii
(GI)
(2 tam) bai vi mOi MO hinh thanh tik cac AO cUa 2 nguyen tit, miSi MO ling vol
mv6t lien ket Be—Ha va Be—Hb. Ngoai ra, , a y chung ta nhan
(at ) (cy
thay Be to hdp veii AO dm hydro khong phai chi c6 mot ma la 2 AO cUa Be
(W2, W2pz)- Thuc chat day la sit lai hod sp cua orbital tv2a va tv2pz cua nguyen tit
Be tao 2 orbital lai hohn toan giong nhau va ding nh'm tren &fang thing. Hai dam
may lai, c6 nang luring giong nhau nen khi to hop \red Ha va Hb se tao 2 MO a lien
ket c6 nang Wong ngang nhau va 2 MO a phan lien ket c6 nang Wong gi6ng nhau.
Si d6 nang Wong cua BeH2 hic nay c6 the bieu dien theo Hinh 3.44.
So voi sd d6 nang liking phan tit BeH2 thiet lap theo phudng phdp MO-
LCAO (Hinh 3-41), Hinh 3.44 có khac chtit It nhung de thiet lap hon va c6 tinh
den cau tao phan
Cdc MO 2 tam cfmg c6 the dude hinh thanh nh6 s>t to hop cac orbital lai
hod sp2 v6i orbital p (trong phan tit BF), hoac duoc hinh thanh nh6 to hop
cac orbital lai spa voi cac orbital s (trong CH4) v.v... Cac MO hai tam ciing c6
the dude hinh thanh bang std to hop cac orbital lai hod voi cac orbital lai hod,
orbital lai hod voi orbital khong lai hod, cac orbital khong lai hod vdi cac
orbital khong lai hod. VI du cac MO trong cac phan tik C2H2, C2H4 v.v... va xay
dung sd d6 nang Wong dang Hinh 3.44.

154
 a1
Ilk Ilk
a2

2px
2p (Be) TCY TCY

sp sp
2s (Be) 2. 4— 4—
is, is,
• lk lk
•, a1 a2 •
4+
Be BeH2
Hinh 3.44. Cac MO hai tam cila BeH2
Nhtt vay, d6i voi cac phan tit nhidu nguyen tit, trong da so tritang hop,
cac MO khOng dinh xii CO the dien ta bang cac MO dinh xii hai tam chtia cac
AO lai hod hoac khong lai hod dia tiing cap 2 nguyen tit.
Song thtic to cac MO dinh xii thu ditoc ding khong phai hoan toan dinh
xii vi cac he so trong MO khong dinh xii ditoc thita nhan mot each gdn thing la
bang nhau. Song tinh chat gdn dung trail gulp vies mo ta hinh hoc cac phan tit
a clang hon.
* Orbital phan dinh xii (MO phan dinh xii)
Phan MO dinh xit, chiing ta thay trong phan tit nhidu nguyen tit, cac MO
ddu có the xem la MO dinh xii (hai tam). Song ndu quan niem cac MO trong phan
tit ddu la MO dinh KU thi khong the giai thich ditoc cac quan hd lien kdt trong cac
phan tii có he lien kdt lien hop ma vi du dien hinh la phan tit benzen.
Vi vay, de có the mo to cac phan tii nhidu nguyen tit có N lien ket lien
hop, ngitai ta dung phitong phap gdn dung la thita nhan cac MO a la MO hai
tam (dinh xit), con cac MO it la nhidu tam, nghia la MO it giai tod tren toan 130
phan
Nghien cal sli phan b6 cac electron TC trong tracing cUabO khung MO a la
not dung ciia pinking phap Huckel. Cu thd pinking phap MO Huckel data trent
- Xay dung cac MO a hai tam dinh xit xuat phat tit cac AO lai hod (14 hieu
MO a hai tam la mot gash ngang -).
- Xay &pig cac MO it nhidu tam thitOng la giai toa (14 hieu sham sham...).
VI du, phan tit CO2 la phan tit thang, s6 electron hod tri ciia 2 nguyen tit
oxy va 1 nguyen tit carbon la 16. Ca 3 nguyen tit trong CO2 deu có lai sp. Moi
oxy có 1 orbital lai chita 2 electron va la orbital khong lien lidt D,va D2. orbital
lai con lai cua m61 oxy to hOp voi orbital lai sp ciia carbon tao orbital lai a1 va

155
62 . Khung MO a lien ke't va MO a khong lien ket chila 8 electron (mill ten
la orbital khong lien ke't). Moi nguyen tit oxy va carbon dgu con cdc orbital P.
va py vuong goc v6i true not 3 nguyen tit (Hinh 3.45).
4e

Py P,
Hinh 3.45. Phan tit CO2
D, O C 0
a a,

4e
Nhu vay, theo phuong y c6 3 orbital py, theo phuong x c6 3 orbital px va
moi pinking c6 4 electron.
Ba AO px to hop vol nhau tao 3 orbital TE: TO, nxklk, Tcxf1k Theo nguyen lY
viing b6n 4 electron chi co the lam ddy nxik, 7rxmk. Den day ta thgy theo phitong
x, chi co 2 electron hod tri tham gia tao orbital it lien ket 3 tam (orbital giai
toa). Vi la lien ket giai toa nen ta ky hieu chgm chgrn (...). Vi trong orbital rcxlk
3 tam chi c6 2 electron, nen s6 lien ke't bang 1. Gia tri nay chia de'u. cho 2 cap
CO nen moi ben c6 1/2 lien ke't giai toa.
Ly lua.n Wong tit, theo phitong y phan tit CO2 c6 my1k 3 tam chita 2
electron. M6i cap CO trong phan tit CO2 lai them 1/2 lien ket giai toa. Nhit vay
trong CO2 c6 lien ket dinh xt va va lien ket phan dinh xui nen cong thitc cgu
tao c6 dang:

Tuy tang s6 lien ket cua moi cap CO trong CO2 la 2 nhung vi6t cong that
cgu tao ciia CO2 voi dang 0 = C = 0 la khong dung vi cong thiic nay not len
rang tat ca lien ke't trong phan tit CO2 la dinh xii (hai tam).
Hoac xet ion NO3- c6 cgu tao hinh hoc dang phang. 3 nguyen tilocxy va 1
nguyen tit nito deu c6 lai hoa sp2 . T6ng s6 electron hod tri ciia 4 nguyen tit la
24, trong do 18 electron khu trtz o 6 orbital khong lien ke't va 3 orbital a lien
ke't tren mat phang. 6 electron hod tri con lai phan b6 tren 4 orbital py ciia 4
nguyen tit. 4 orbital nay vuong g6c voi mat phang va tttong ta.c v6i nhau tao
thanh 4 orbital: 1 orbital it. lien ket, 1 orbital .74 phan lien ket va. 2 orbital
khong lien ke't Nhu vay 6 electron &toe phan b6 teen 1 orbital lien ket, 2
orbital khong lien ke't. Nghia la that chgt chi c6 2 electron lien ke't (c6 1 lien
ket) phan b6 teen 3 cap NO. Nguai ta not electron it lien ket giai toa teen than
13"O 4 nguyen tit va bieu din nhit hinh 3.46, s6 lien ke't dia. 1 cap NO la 11.

156
 N%
O
hay c6 thg vigt gon lai
Hinh 3.46. on NO3
Trong phan tii butadien C4H6, cdc nguyen tii carbon c6 lai hod sp2. Trong
phan tit butadien c6 22 electron hod tri trong do c6 18 electron &toe phan b6
tren 9 orbital a lien kgt. 4 electron hod tri con lai phan b6 tren 4 orbital py caa
4 carbon. 4 orbital nay to hop voi nhau thanh 4 MO, Om 2 my lien kgt va 2 Tey
phan lien kgt. Theo nguyen 1ST yang bgn 4 electron hoa tri dttoc phan b6 vao 2
it ,, lien kgt. 2 lien kgt TC nay ditoc phan b6 dgu (giai toa) cho 3 cap C-C trong
2 •
phan tit C4H6 (Hinh 3.47), mtii Cap mang 1- lien kgt.
3
hay

H2CCH CH— CH,

NH
Hinh 3.47. Phan tit C4H6

phan tit benzen C6H6, sdu nguyen tit carbon va 6 nguyen tit hydro ddu
nam tren mot mat phang va tao luc gidc dgu. Digu nay dttoc giai thIch bang lai
hod sp2 ciia 6 nguyen tit carbon. Moi nguyen tit carbon con 1 orbital py yang
gOc vdi mat phang chiia 6 nguyen tit carbon. S6 electron hod tri cua cac
nguyen tit trong benzen la 30. Trong d6 c6 24 electron hod tri phan 136 d 12
lien ligt a. 6 electron hod tri con lai phan b6 tren 6 orbital py cfia 6 nguyen tit
carbon. 6 orbital nay to hop voi nhau tao 6 orbital phan tit (MO): 3 my lien kgt
va 3 ley phan lien kgt. Theo nguyen ly yang ben, 6 electron lien kgt &toe phan
b6 tren 3 orbital it,. lien kgt. Nhtt vay co 3 lien kgt cho 6 cap C-C lien kg nen
moi clap dtioc 0,5 lien kgt. Tong so lien kgt cho 1 cap C-C la 1,5. Digu nay c6
nghia lien kgt it giai toa tren toan b6 6 nguyen tit carbon. Bang that nghi01
ngttai to da xdc Binh d6 dai C-C bang 1,4A°, nam gitia gia tri C-C trong lai
hod spa (1,54A°) va C-C trong lai hod sp2 (1,34A°) va ding thiic eau tao phan tit
dttoc bigu din bang Hinh 3.48.

157
 H _H

Hinh 3.48. Phan tit C6H6

Co the vigt gon cong thfic cgu tao caa C6H6:
."*"..........
....:...

t
\ ... , /

khong nen vigt

.158
 Chi ling 4

PHU'C CHAT

MYC T IED
1. Phan biet chive phdc chdt vet cac hop chat dun gicin; cac thdnh phein trong
phdc chdt; phdc cation, phdc anion va phuc trung haa.
2. Chi ra du'o'c nhiing u'u nhu'o'c diem ceta 3 thuyet VB, tru'etng tinh the' vet MO
trong su' gidi thich hinh thanh hen ket, ca'U true khong gian, tinh chat quang
vet td cua phdc chat.

1. DINH NGH1A VA cAc THANH PHAN CtA PHIYC CHAT

* Dinh nghia
Hien nay, s6 phiic chat da bik rat nhieu. CO nhigu phiic chat trong thien
nhien va c6 nhfing phiic chat gilt vai tr6 quan trong trong cac qua trinh sinh
hoc nhu phiic chelat hemoglobin trong mau (chat tao phiic la Fe2+), clorophyl
trong cay xanh (chat tao phiic la Me). Trong cac nganh ky thuat, trong y
diidc phiic chat ciing có vai tro rat quan trong.
Tit tru6c den nay da có nhigu dinh nghia ve phiic chat nhUng chua có
Binh nghia nao duoc moi nguai thfia nhan la dinh nghia chung. Tuy vay có the
neu mot y chung nInt sau: "nha'ng ho'p chat chto'c tao nen bdi su' hei hop gilta
ion (kim loci ho'cic phi kim) voi cac ion hoft phan khcic bang lien hei phoi tri
va co the' ton tai trong tinh the' cling nhu' trong dung dich goi la phi1- 'c chat".
Theo dinh nghla nay, nhieu hop chat doge coi la phiic chat. Trong chtiong
nay, dating to chi nghien ciiu cac phiic chat din gian: phiic gom có ion trung
tam la kim loaf chuyen tie-p va phoi tii la cac ion va phan
Vi du:
[K2HgI4], [Zn(N113)4)(011)2, [Ag(NH3)2] NO3,
[Pt(NH3)2 C12], [Co(NH3),]C13
* Thanh phan cua phan phiic
M0t phan ti phiic có cac thanh phan quan trong sau: cau n6i, cau ngoai,
ion trung tam, phoi tit

159
 VI du:
K 2[HgI4]

Cau ngoai Ion trung tam PhOi tir

(2K+ ) (Hg2+ ) (41-)
Cgu nOi
(ion pink)
— Cciu nOi thang la ion phlic. Cdu not g6m c6 ion trung tam (chgt tao
phitc), phoi tit va dtioc vigt trong ngoac vuong. Dian tich cau not bang
tang din tich ion trung tam va din dal phoi
VI du: [Hai] 2-
- 2 = (+2) + 4(-1)

Ctiu ngoai la ion &long hoac am d6 ngoai ngo4c vuong.

- Ion trung tam hay cheit tao phzi'c la ion cua cac kim loci chuy6n ti6p.
Trang hop phlic chgt duoc laieu mat each khai quat nlati dinh nghia da
neu, thi ion trung tam có the la ion cUa bgt ky nguyen to nao trong bang
tuan hohn.
* Phoi t1.1
La ion hoac phan tit có cap electron tit do có th6 tao lien k6t phoi tri voi
ion trung tam.
Vi du: trong K2[He4]
NH3 trong [Ag(NH3)2]NO3
* Dung Wong phoi tri can. phoi tit
La so lien k6t cila mat phoi tit lien k6t voi ion trung tam. Chang han:
- Dung Wong ph6i tri 1 nhii: P, NH3, H2O, v..v
NH3 _ 3+
2- NH3 NH3
IN 'I
NH3 H3

NH3

- Dung Wong phoi tri 2 nhu:

Cac acid amin etylendiamin (en)
NH2
R H2N-CH2-CH2-NH2
COOH
H2N—CH2
[Zn(en)2]2+
CH2—NH2 A" H2N— CH2

160
 - Dung lttOng phoi tri 4,6 rant natri etylendiamin\tetraacetat (Na2EDTA)
Na00C-CH2 -N CH2-COOH
> N-CH2-CH2
HOOC-CH2 CH2-COONa
Na2EDTA goi la complexon III hay trilon B.
Ion kim loai nam trong ngolac vuong, lien ke't trtic tigp voi cac phoi tit nInt
thug ngan (II), cobalt (III) trong cac phifc a vi du tren la cac ion trung tam.
S6 lien ket ciia met ion trung tam lien ke't voi cac ph6i tit goi là so ph6i
tri. Trong phiatc [HgI4]2- s6 ph6i tri cua Hg2+ la 4; [Co(NH3)6]3+ so ph6i tri cua
Co' la 6.

2. PHAN LORI PHU'C CHAT

Phiic chat don gian chicle phan thanh cac loai sau:
+ Pha'c cation: loai phiic nay duoc hinh thanh nha sit to hop gifia ion
trung tam mang dien tich diking va cac phoi tit la phan tit, hoc gifia
ion trung tam voi phoi to là phan tik va ion am, nhtkng tong dien tich
am nh6 hon dien tich cua ion trung tam.
VI du: [Co(N113)6]3+, [C0(14 20)6] 3+, [CO (NH3) 4 CI-2r
+ Phac anion: ion phiic mang dien tich am goi la phlfc anion. Trong ion
phi.ic nay, tang dien tich am cua ph6i tit lan hon dien tich dvong cua
ion trung tam ye gia tri tuyet
Vi du: [Co(CN)6]3', [Fe(CN)6] 4-9 [Fe(NH3)2(CN)4P-
+ Phac trung hod: phfic trung hoa c6 dien tich nei cAu bang khong,
nghia la tang dien tich am cua ph6i tit bang dien tich thiong cua ion
trung tam ve gia tri tuyet
VI du: [Pt(NH3)2C12]°, [Pt(NH3)2C204]°
+ Phdc chelat cang cua):
Nhting ph6i tit có dung Wong phoi tri bang hai tri len thvang lien kgt voi
ion trung tam tao nen cac \Tong. Nhfing phfic nhtt v4y goi la phfic chelat (hay
phitc cang cua).
VI du:
2+
[ CH2 NH2 \ CH2
1 /Cu 1
CH2 —NH2 / — CH2

161
 Qui 1114 khep vong trong phfic chelat cang Wong tu nhu trong hop chat
hilu xu huang tao vong /lam canh la ben nhat.
+ Phac da nhein (hay phiic polime):
TuST thuOc vao hinh clang phfic don nhan, cfic phi da nhfin hinh thanh
bang cac kieu ke't hop khac nhau. VI du phitc bat then c6 the lien ket trUc tiep
vOi nhau bang 1, 2 hoac 3 nhom cAu n6i.
VI du:

a b
Hinh 4.1. Phiic da nhan mat cgu n6i (a); hai c'au n6i (b) va ba ceu nOi (c)
MOt so phlic da nhan ciia Co (III) c6 dang:
_
NH3 NFIft . H
H3N \ I I ‘
1H3 o

I/
H3N C(:) "..' 0CID . NH3 C15
kiN r.

(H31114%.00
/ \r, IN L.I N

%..A". .3/4
C14
\o/

NH3 N H3

NH3 NH3 H

H2
N

— — o(NH3)3
C C14
(H3N)3C°\
:
H
+ Phiic bac cao
Trong n6i cau, ion trung tam c6 th4 ph6i tri v6i nhieu ph6i tii khac nhau.
Phi chat dang nay goi là phlic bac cao.
Vi du: [Pt(H20)5C1]C12, [Pt(NH3)2C12]°

3. HONG PHAN CIJA PHUC

Plific chat c6 nhieu dang doting phfin. 6 dfiy chi neu mot so dang.
+ Deng phan hinh hoc (cis-trans)

162
 Deng phan hinh hoc hay gap trong cac phitc bac cao, tfic la cac phitc ma
trong cau not có nhieu phea tit khac nhau.
Deng phan cis la he chat phlic có cac phol tit gi6ng nhau dttoc b6 tri lien nhau.
Deng phan trans la hop chat ph(ic có cac ph6i tit gi6ng nhau dttoc b6 tri
doi nhau.
Vi du: [Pt(NH3)2C14]; [Pt(NH3)2C12]
CI
CI

NH3

CI
H3N
Cl
CI
Deng phan cis (mau da cam) Deng phan trans (mau yang)
CI NH3 Cl NH3

Cl NH3 H3N
Deng phan cis (mau da cam) Deng phan trans (mau yang)
+ Deng phan ph6i tri
Deng phan ph6i tri thg hien su phea tri cua chat tao yeti ph6i
Loai long phan nay hay gap trong ph(tc kep.
Vi du: [Co(NH3)6][Cr(CN)6] va [Cr(NH3)6][Co(CN)6]
Cac phfic nay có thanh phan hoan toan gi6ng nhau chi có cac ion trung
tam deii vi tri cho nhau.
+ Deng phan ion
Loai dog phan nay the hien sit chuye'n diii vi tri cac ion cau not va ngoai eau.
Vi du: [CoBr(NH3)5]SO4 [Co(SO4)(NH3)5]Br
Mau dO tim Mau dO
+ Deng phan quang hoc (xem chuyen de ph(ic chat trong Y — Dttoc, tai
lieu tham khao 4.).

4. DANH PHAP PHUC CHAT

(xem Phu luc 4, muc 2.5., trang 323)

163
5. Sif HIEN LY VA HANG SO KHONG BEN CUA PHtiC CHAT
Phan tit phfic trong dung dich phan ly hoan toan thanh not cdu va ngoai cdu.
VI du: = 2K+ + [HgI4]2-
Hang s6 khong ban caa phiic chgt disc c tinh theo ski then ly cua not cd.u.

HgI42- HgI3 + I- K1 =
[HgI42 ]

[HgI2 ][I]
HgI3 HgI2 + I K2 = [H03_

K3 = [Hgr][I]
HgI2 ± Hgr. + I-
[HgI2 ]
K4 = [Hg2+][I-]
Hgr Hg2+ + 1- [Ho+]

Hang so- khong 136n tang Ong Kkb caa phuong trinh dikn ly tong Ong la:

HgI42- Hg2+ + 41- [Hg2+][1]4 — K

k
1.K2.K3.K4
b [Hg142-]
Hang s6 khong ban cang nhci, phfic cang ban. Di) b6n cua phlic cang có
the bigu din bang hang s6b6n Kb:
[HgI42 ] = 1
[Hg2+][I-]4 Kkb

Phu'cing trinh tang cang HAng s6 khong bgn

Chit tao phac
phan ly ceu not tong cepig Kkb
[Ag(NH3)2]+-----'
, - Ag+ + 2NH3 6,8.10-8
Ag+ [Ag(S203)]- --'" Ag+ + 52032- 1.10-'3
[Ag(CN)2] Ag+ + 2CN- 1.10'
[Cu(NH3)4]2+ ;----'- Cu2+ +4NH3 4,6.10-14
Cu2+
[Cu(CN)4]2- ,
----t Cu2+ +4CN- 5,1.10'1
Fe2+ [Fe(CN)6]4--..--t. Fe2+ +6CN- 1.10-24
Fe' [Fe(CN)6]3- '-' Fe3+ +6CN- 1.10-31
Hg2+ [Hg14]2- ,•
-• Hg2+ +41- 5.10-31

164
6. LIEN KET HOA HOC TRONG PHI:1C CHAT
Hien nay, cdc thuye't ye lien ke't hod hoc trong phitc chgt hay elude sii
dung la:
—Thuye't lien ke't hod tri (thuyeI VB)
—Thuygt tritang tinh the
—Thuye't MO
6.1. Thuyat lien kat hod tri (thuyet VB)
Thuye't nay cilu you de cap clan lien kat cho-nhan, van de lai hod va eau
true khong gian cua phan tit phi c.
CS day cha yeu de cap clan phitc có ion trung tam la kim loci chuyen tiap.
Phitc loci nay hinh thanh nha s1.1 to hop cila chat tao phitc có orbital trong voi
cac phol tit c6 doi electron tv do: I-, Cl-, NH3, CN-, H20....
VI du: K2[HgI4], [Zn(NH3)4](0f)2, [Pt(M13)202]2+, rri(1120)613+, [Ag(NH3)2]+,
[NiC14]2-, [Ni(CN)4]2-•••
Pauling cho rang ion trung tam va phai tii lien kat vc i nhau bang lien kat
cho-nhan:

hay L
L
(kim loaf) (ph6i tit)
VI du: phitc cau true thing [Ag(NH3)2]+
Ion trung tam Ag+ (Ag c6 Z=47) co c`du hinh electron:
1s22s22p63s23p64s23d104p65s04d105p0
Phiic c6 cgu true thing, tiie ion trung tam c6 lai hod sp. Ph6i tit NH3 c6
mot doi electron tit do cila may lai sp3, gifta ion trung tam va phol tit tao lien
ket ph6i tri.
+

H3N Ag -.4- NH3 .1

N Ag

VI du: phitc tii dien lai sp3 [NiC14]2-

Ion trung tam Ni24-(Ni c6 Z=28) c6 eau hinh electron:
1s22s22
p63s23p64s03d84p0
va c6 so do nang Wong

165
 Ty Ty
3d8 4s° 4p°
sp3
Vay Ni trong phiic [NiC14]2- lai sp3 (tit di0), phlic thuan tit.
VI du: phitc vuong phang [Ni(CN)4]2-
Cac ion CN- tac &Ong len ion trung tam Ni' manh hon Cl- nen tat ca
electron cr ghep doi va ion trung tam lai hoa dsp2.

TN 14
3d8 4s° 4p°
dsp2

Phiic [Ni(CN)4]2- vuong phang va nghich tit.

VI du: phitc bat din (lai hoa ngoai sp3d2 va lai hoa trong d2sp3)
[FeF6]4- va [Fe(CN)6]4-
Ion trung tam cua hai phitc tren deu la Fe'
Cau hinh electron cUa Fe' 1s22s22p63s23p64so3d6
V6i ion phitc [FeF6]4-, cac ion F- tac Ong len ion Fe' ygu nen electron a
3d6 sap xgp theo soy do sau:

3d6 4s° 4p° 4d°

sp3d2
F

Phitc [FeF6]4-

166
 Ion phitc nay c6 lai hod ngoai, tong spin bang 2 (tritang ygu) va goi la
phitc spin cao.
Voi ion phitc [Fe(CN)6]4-, cac ion CN- tac dOng len ion trung tam manh
hdn P. Do d6 electron 6 3d6 ghep doi va phitc c6 lai hod trong d2sp3.

Ty TN
3d6 4s° 4p°
d2sp3
CN
CN

CN

CN
Phut [Fe(CN)6]4-
Wing spin dia electron trong phitc nay Wang khong nen phiic .nghich tit
va goi la phitc spin thdp.
Nlan xet:
Thuygt lien kgt hoa tri giai thich dttoc cau true khong gian va tit tinh caa
phitc chat. Nhting thuygt nay khong giai thich ditoc ph6 lap thu cua phitc chat.
6.2. Thuyet tniCing tinh the
* Thuygt nay hi.c ddu chi dfing de giai thich tinh chat cua chat ran nen
goi la thuygt truang tinh the. VA sau thuygt trang tinh the &toe sit dung cho
tat ca cac he c6 sit Wong tac cua cac tidu phan mang dien, vi du nhit doi voi
tilng phan tit phitc rieng biet. NOi dung co ban cila thuygt la: ngoai Wong tac
tinh dign don thuan (lien Icgt ion), giffa chdt tao ph-tic (ion trung tam) va ph6i
tit con c6 s-kt tac do, ng cua trang tinh dign cua phoi tit len trang thai nang
Wong caa cac electron trong chat tao phitc. ei day cha ygu dg cap dgn electron
may d.
Chung to dgu bigt nam orbital d c6 nam pinking trong khong gian: dxy,
dxz, dyz, dx,_y„ dz, . 6 trang thdi nguyen tit tit do hoac ion ttt do ca nam orbital
c6 ding mile nang Wong nghia là thong a trang thai suy hien. Gia sit ion c6
may d d6 dive slat a trung tam qua eau mang dign tich am, thi toan bO orbital
d bi tac dung dgu nhau nghia la orbital d a trang thai kith thich nhitng van
suy bi6n. Song ne-u ion hoac nguyen tit c6 may d ditOc dat trong trang tao nen
bai nhfing digm mang dien tich am thi tac dOng cua trang len ion trung tam

167
khong deu nhau, orbital d nao On diem mang dien tich am hdn se chiu tac
dung nhik hdn.
+ Trtiong bat dien
có 6 ion hoac 6 phan tit phan cuc bao quanh mot ion chiong có may
d. Cac tieu phan nay nam tren cac truc cila orbital d al Y2 d z' (Hinh 4.2)
z z

a
Hinh 4.2. 2 trng bat dien
Cac orbital d x 2 -y (a) va dx, (b) trongu'o
Cac ion am (hoac phan tit phan chic) nay tac dung len electron a d x -y 2 2

dz2 (k1 hieu deg) manh hdn tac dung len electron c3 dxy, dx,, dy, (ki hieu dt2g). Nhu
y nang Wong caa electron d deg va dt2g khac nhau: nang lttong cila electron
deg cao hdn nang luong electron dt2g, nghia la trong truang bat dien nam
orbital d ban d'Au có nang Wong hoan toan giong nhau da bi tach thanh hai
nhom có nang Wong khac nhau: Nhom deg Om orbital dx, -y„ dZ 2 có nang Wong
cao hon. (E,g), nhom dt2g Om dxy, dx,, dy, có nang Wong thavp hdn (Et2g). Hieu
nang Wong deg va dt2g goi la nang Wong tach A0.
A0 = Eeg - Et2g
dZ2 (1,212 Eeg

d
Ao
V
Et2g
d„), dx, yz
Hinh 4.3. Si! tach nang lirdng cac orbital d trong tru'ong bat di'On

168
 + TrYong tit dien
Trong traeng tit dien, cac ph6i tit mang dien tich am tac dung len
electron ci cac orbital d theo trdt tit ngutoc lai. Ion &tong (ion trung tam) nam ci
tam tit dien.
z z

d x2_y2 dxy

Hinh 4.4. Orbital d x- -y va dxy trong trudng t(t dien

2

dxy dxz dyz

A
tach
V
dz2 dx2_y2
Hinh 4.5. Sy tach mac d trong tru'ang tit dien
Ti Hinh 4.4 cluing to th'ay clxy, d„z, dy, gin phoi tit hon nen bi tac dung manh
hon, con dx2 _y„ (1,2 xa phol tit hon nen bi tac dung ye-u hon. Nha vay tit nam orbital
d có nang Wong ban ddu giong nhau da tach thanh hai mac (Hinh 4.5).
+ Tr-Yang vuong phang
Trong trueng vuong phang, cac ph6i tit (ion am hoac phan tit phan cyc)
nam tren cac true x, y, tac tren dinh hinh vuong phang chi a true x, y. Cac
ph6i tit tac deng len orbital d cila ion trung tam vei nhieu mac de khac nhau
(Hinh 4.6, 4.7).

169
 d x -y
2 2
dxy
Hinh 4.6. Orbital d x2 -y2 va dxy trong truting vuong phAng
A
dx2,2

dx,
dz2

dxy dy,
Hinh 4.7. Sy tach cac orbital d trong tru'ang vuong phAng
Bon phol tit 1, 2, 3, 4 tac dung true tiep len d.,_y, nen nang lacing orbital
nay cao nha-t. Orbital dzy nam xen gifta cac true x, y khong bi phol tit tac dung
true ti6p nen nang Wang th'ap hon nang Wong dx2 _y2 trong tracing vuong
ph'ang. Orbital d z2 vuonggoc voi mat ph'ang x, y, each xa cac ph6i tit. Mat
khac, gifia dx,_y, va dz, con có dz, , dyz nen cac phoi tit teen d.2 _y2 khong tac
&Ong len dz2 . Do do nang Wong dz2 khong thay doi, nghia la nang tong orbital
dz2 van gilt miic nang litdng orbital d dia ion trung tam o trang thai tit do.
Rieng d„, , dy, bi cac ph6i tit tac &Ong mot ben va coi nhii bi day ra tfic nang
Wong cac orbital nay ha tha'p so vOi mac ban dau (Hinh 4.7).
* Nhiing ygu to anh hvang den thong s6 tach A
Qua nghien citu, nguai to nhan thgy thong s6 tach A phu thuOc vao cac
y6u toy cKu true khong gian cUa phitc, ban ch6t cua ph6i tit va chat ta.o phitc.

170
 - Anh twang cua cgu true khong gian
DOI vol mot ion trung tam va mot loai phoi tii, th8ng s6 tach 0 phu thu6c
vao cgu true khong gian cua phiic. T6ng thong s6 tach A trong tritang vuong
phang 16n hcin th6ng s6 tach A0 trong truing bdt dien, con th6ng s6 tach A.
trong tniang tit dien chi bang 4/9A0 trong truang bdt dien. Dieu nay the hien
tren Hinh 4.8.
d X2- y2
d X2-y2 d z-

Ao

Ion ter do

dxy, dxz, dyz

a
Hinh 4.8. Su tach mac d trong cac tatong bat diOn (a), tit den (b), vuong phAng (c)

- Anh httang cua tritang phoi tit. Day quang ph6 hoa hoc va each xac dinh A.
Cang mot cgu true khong gian va ding mot ion trung tam, thong so- tach
A phu thu6c vao d6 manh ydu cua tnthng ph6i tii. Trtiong phoi tit tang manh,
thong so- tach tang loin. Bang th-qc nghiem va tinh town theo co Wang tit
to da xdc flinh kha nang tdc &Ong len th8ng so tach A cila cac phoi tit theo this
tti sau:
CO, CN- > NO2- > NH3 > NCS- > 0112 > OH- > F- > Cl- > Br- > I-
Day nay goi la day quang ph6 hod hoc.
Ndu hieu nang Wang Eeg - Et2g = A khong 16n thi electron c6 thd chuydn
tit mite nang Wong thgp (Bug) len /mac nang Wong cao (Eeg) khi hgp thu dnh
sang yang nhin thgy. Day chinh la nguyen nhan sinh ra mau cua phiic chit.
VI du: dung dich mu6i Ti (III) c6 mau tim. Ion TO+ trong nit6c a clang
phitc [Ti(1-120)6]3+ hgp thu tia sang mau yang va cho tia sang mau xanh va clo
di qua nen dung dich c6 mau tim.
Khi 114 thu dnh sang mau yang, electron duy nhgt es orbital d chuygn tit
t2g len mite eg va ph6 hap thu cho mot chic dai tai 500 nm (Hinh 4.9).

171
 xanh yang do
100

eg
50
A
V t2g

0
330 400 500 670 1000 nm
Hinh 4.9. Ph6 hap thy ciia phac [Ti(H20)6]3+
Sit lien quan gala nang Wong chuyk electron \Ted dO dai bu6c song anh
sang bi hap thu duoc bieu dien bang phuong trinh Planck.
hc
,
AE = A = Eeg - E t2g

h: hang s6 Planck.
c: t6c do anh sang.
Nhu vay, bang thi c nghiem, ngu xac dinh duoc X to c6 the tinh duoc A.
- Anh huang cUa mitt do oxy hod (dien dell) ion trung tam den thong s6 tach A.
N6u dien tich ion trung tam tang thi phoi tit cang bi but manh v6 ion
trung tam. Do d6 cac pho-i tit cang tac dOng manh len orbital d va lam cho A
tang. VI du A ciia ion phlic [Co(NH3)6]3+ lon hdn A can. phitc [Co(NH3)6]2+ gdn 2
ran. VI v4y phlic [Co(NH3)6]3+ nghich tit, con phlic [Co(NH3)6]2+ thu4n
- Anh twang cad s6 lung tit chinh cila orbital d (so chu kY) den A.
Phfic c6 ding c'au truc khong gian (bat dien, tit dien, yang phang) gia tri
thong s6 tach A tang d'An deci vdi ion trung tam 3d, 4d, 5d. Di'6u nay &foe giai
thich nhu sau: so- chu kST cang lon, orbital d cang loang xa hat nhan ion trung
tam va tang st..t Wong tac electron voi pho-i va lam tang A. VI du thOng s6
tach A ciia pliffc [Rh(NH3)6]a+ va [Ir(NH3)6]3+ ldn hdn thong s6 tach A cua
[Co(NH3)6]3+ .
* Ti tinh cua phfic chat spin alai) va phlic spin cao
Theo quy tac Hundt, n6u s6 electron khong lon hdn s6 orbital suy bign
thi electron c6 xu htfeing sap xep sao cho tong spin la 16n nhat.
VI du: xet truong hop ion trung tam c6 d4

172
 Esi = 2.0
Ngu d4 trong truang bat dien thi orbital d suy bign phan tach hai miic
nhv da trinh bay d tren.
eg

t2g
Va electron trong orbital d có hai cgu hinh a va b. Khi nao có cgu hinh a
va khi nao có cgu hinh b? De tra lai cau hai nay can litu S7 dgn thong s6 tach A
va nang Wong P can thigt dd chuyen met electron co dOc a met orbital den
ghep doi voi electron co dee a orbital khac. Gia sit moi electron d4 có nang
Wong la E0, ta có nang Wong cua cgu hinh a (Ea) va cgu hinh b (Ea).

a b
Ea = 4E0 + A va Eb = 4E0 + P
Theo nguyen ly viing ban, electron luon có xu hilOng 136 tri sao cho tang
nang luong thgp nhgt. Mut vay, ngu:
4E0 + A < 4E0 + P thi A < P va co cau hinh a: Esi = 2
4E0 + A > 4E0 + P thi A > P cO eau hinh b: Esi = 1
Nhu 4y, ngu A lon thi pink có tang spin nh6, nghia la phiic spin thgp. Didu
nay hay gap i nhfing phlic chgt có phoi tif duing dau day quang ph6 hod hoc (CO,
CN-, NH3...) hoac phfic có ion trung tam la cac nguyen tad d chu kST 5, 6.
Ngu bigt A va P caa met phitc cu the, ta có the xac Binh trong thai spin
caa phlic do. Thong s6 A va P caa met s6 ph& bat then dvoc neu a Bang 4.1 va
sv sap xgp electron trail cac orbital eg, t2g trong truing ygu va truing manh
the hien a Bang 4.2.
Vi du: hay xac dinh trong thai spin ciia cac phfic sau:
[Fe (1120)6] 2+; [Fe(CN)s]4
Ta bigt sat có cgu hinh electron 1s22s22p63s23p64s23d6 vay Fe' có d6. Tit
Bang 4.1 tim duoc A[Fe( H20 )612+ =29,7kcal/mol; A[Fe(CN l4 =94, 3kcallmol va P cua
Fe' 1a 50,3kcal/mol.
Nhu vay phlic [Fe(H20)6]2+ có P > A nen cgu hinh electron có ding c. T6ng
spin Esi = 2, phi spin cao.

173
 Pliffc [Fe(CN)6]4" c6 P < A nen cgu hinh electron có dang d. Tang spin
Es; = 0, phiic spin dap (plidc nghich tit).

P> A P<A
Bang 4.1. Nang lacing tach A va nang lacing ghep electron trung binh P
cUa mat s6 ph& bat di 'en
Cau hinh cua Ph6i tit A (kcal/mol)
Ion P (kcal/mol)
ion tit do
d4 Cr' 67,2 H2O 39,7
d4 Mn3+ 80,8 H2O 60,0
d5 Mn2+ 72,8 H2O 22,3
d5 Fe3+ 85,7 H2O 29,1
d6 Fe2+ 50,3 H2O 29,7
d6 Co' 60,0 CN- 94,3
F- 37,1
NH3 65,8
d7 Co2+ 64,3 H2O 26,8
Bing 4.2. Electron tren orbital eg va t2g trong tracing bat dien

Twang ye-u Trueing manh

S6 electron a
orbital d
t2g eg t29 eg

1 + +
2 t --t- 4-- 4-
3 t 4- 4- 4- 4- 4-
4 T T 4- 4- 4- -t--
5 T -T-- -T-- 4- 4 4-
6
7

8
It
IT
4-
It
+
-t-
T 4-
t
4- 4-
t
It IT
4-

4- 4-
-
9 --t- JT 4-
10 ,

174
6.3. Thuygt MO va lien kgt trong phi:to chk
Thuygt MO cho phep nghien cau cgu tao
phiic nick each toan dien. BOi vi thuyk MO xem ion
trung tam va phol tit la mot the thong nhat trong
phan tit plrac.
* Phitc bat dien kitting ce lienkk
Trong phan tit phac, ion trung tam va
phol tit ce the ce lien kgt a va lien ket 71 va cung
ce the chi di lien kgt a. 6 day ta chi xet traCing
hop phi c bat dien chi cif) lien kgt a. Gia sit ta co
phac bat dien ML6 (Hinh 4.10). Ion trung tam
ce cac orbital hoa tri (n-1)d va ns, np. Cac ph6i Hinh 4.10. He top do cho phac
tit L nam tren cac true IntOng dgn ion trung Pat Olen ML6
tam (Hinh 4.11).
Nha v4y cac ph6i tit L tren cac true x, y, z se xen phi tao lien kgt voi cac
orbital ns, npx, nPy, nPz, (n-1) d z, va (n-1) d x,_y,

Cac orbital dxy, dxz, dyz khong tham gia vao lien kgt (it khong lien kgt).
Ngu bieu di6n cac may ta ce:
—Orbital ns cila ion trung tam to hop veil 6 ph6i tit (Hinh 4.11 a)
k
y ( no = CI (ns) + C2 (al + a2 + a3 + a, + as + a6 )

W(s) = cl (ns)—C2 (al + a2 + a3 + a4 + +a6 )

—Orbital np ciia ion trung tam to hop voi 6 ph6i tit (Hinh 4.11 b)
npx voi 2 ph6i tit 1 va 3:
lk
W(n13.) = C3(n1:0 4- C4(al — a3)

Y(nP„) = C3(nP.) —C4(al — a3)

npy voi 2 ph6i ta 2 va 4:

lk
yopy) = C5 (np y ) + C6 (a2 —a4 )

Ilk
W(nPy) = C5 (nPy C6(a2 — a4)
npz voi 2 ph6i tii 5 va 6:
lk
(nI;) = C7 (nPz C8 (a5 — a6)
Ilk
W op.) C7 (npz ) — C8 (a5 — a6 )

175
 - Orbital (n-1) dx,_y2 vdi cac pheli tit 1, 2, 3, 4 (Hinh 4.11 c)
m lk
4' (n-l)d 2 2 =C9 (n -1)d x2 2
y
+ C10 E
x2-y2
= C (n -1)d x 2 -y 2
9
+ Cio (al + a3 )
-r
m flk
(n-l)d C (n -1)d „ -C E = C9 (n -1)d
x -y„ -
+ a3 )
x 2_y2 = 9 x -y x -y
10 2 2

- Orbital (n-1) dz,vdi ca 6 ph6i tit 1, 2, 3, 4, 5, 6 nining /mac di) khac nhau
(Hinh 4.11 d)
m lk
(n-l)d -1)dz2 + C1 2 Ez2
2 = C11 (n
-1)(1 Ci2 (C75 a6
= i(n - a2 - a3 -a4 )
2+

k
kli(fin-1)(c2 = i (n -1)dz2 -C12 Ez2 = Cii(n -1)dz2 -C12(a5 + a6 - -a2 - a3 -a4)

Hinh 4.11a. Orbital ns cUa ion trung tam to hop veli 6 ph6i tit
z z

Hinh 4.11b. Orbital np cita ion trung tam to hop voi 6 ph6i - npx vOi 2 ph6i 01,3

176
 z

Hinh 4.11c. Orbital (n-1)d.,_y2 to hop voi cac ph6i tit 1, 2, 3, 4

Hinh 4.11d. Orbital (n-1) dz, to hop voi cac ph6i tit 5, 6, 1, 2, 3, 4
Hinh 4.11. Orbital ns, np va(n-1)d cua ion trung tam to hop
voi orbital ciia 6 ph6i tit trong tru'ong bat din

Tit s-t1 xen phu cac orbital (n-1)d, ns, np cUa ion trung tam voi cac phei tit
bang lien 1(61 a, to có the bieu din bang sd d6 nang Wong cac MO va cgu hinh
electron cUa phiic spin cao [CoF6]3- va phifc spin thgp [Co(NH3)6]3+ (Hinh 4.12).
Ca-u hinh electron cila phitc spin cao [CoF6]3-:
(6(Ik4s))2< a(;) <(6(d))4 <(nd) 4 <(adflk )2
Cgu hinh electron cila phlic spin thgp [Co(NH3)6] 3+:
(0.(1k4s) )2 < (0,14kdo < (0.(lkd) )4 < (Th(d) )6

NIM vay 18 electron hod tri (12 electron ciia 6 phei tit va 6 electron cUa
ion trung tam Con phan b6 tren cac orbital lien Idt, khong lien ke't (trtthng

177
hOp [Co(NH3)6]3+ trtiOng manh) va lien ket, khong lien ket, phan lien ket
(trvang hop [CoF6]3- trti6ng yeti).
AO MO AO AO MO AO
aflk bilk aflk axflk ay z
flk aflk
x y z
a flk
4p 4p

•
4s aflk aflk\ 4s 1 flk
x 2_y2 \ 3,2_ y

3d 3d
4 t 4- T 4- T
Tr xz Tr y,

Tv IW

ik
Tv
x 2_y2 azik2 s' 2 2 alk
x 'Y 2

'4 4

(A)
(B)

Hinh 4.12. So do ph5n bei electron hoa tri MO cOa phitc spin cao [CoF6]3-
(A) va phCtc spin thdp [Co(N11-13)6]3+ (B)
Nhan xet chung v6 ba thuyet:
Thuyet VB de cap den sit lai hod d2sp3 ciaa cdc orbital (n-1)d, ns, np tao
cdu hinh bdt dien. Nhti \Tay thuyet VB có xet den sv tham gia tao lien keit
trong phiic chdt khong nhang cita cdc orbital d ma ca orbital ns, np. NhVng
thuyet VB kh6ng de cap den orbital phan lien kgt. Vi \Tay, thuyet VB chi giai
thich cdu trtic khong gian, tit tinh cua phiic nhvng khong giai thich &toe tinh
quang cua phiic.
Thuyet trtiOng tinh the giai thich dvoc tinh quang cua phut, cdu trilc
phan tit ph& nhting khong de cap den sit tham gia tao lien ket cua cdc orbital
ns, np cita ion trung tam.
Thuyet MO tren thvc t6 bao g6m ca 2 thuyet VB va trttcing tinh the.
Thuyet MO giai thich dvoc tit tinh, tinh chdt quang va de cap den ca sit tham
gia cita cac orbital (n-1)d, ns, np dm ion trung tam vao sub hinh thanh lien ket
trong phan tit phitc. Dieu nay co the minh hoa bang so d6 sau (Hinh 4.13).

178
 A
aflk aflk flk
x y z

flk

flk flk
2 2 2
x -y z x2-y2 d z2

xy it yz /"C xz d, d, d xz

Trireing tinh the (TT)

k alk
2
x2 -yz 2

an 61k lk ns np
x y

alk
d2sp3

MO VB
Hinh 4.13. So sanh viec sit dung cac thuygt VB, thuygt tinh the (TT)
va thuygt MO trong twang bat din

ó nhi6u Iffig dung quan trong trong hod kg thudt va hoa phan
tich; trong nghien citu cac chat mau va cac hop chat ti./ nhien; trong sinh hoc
va y - diicc. Do la nhiing link vile ion trong hod hoc, dtioc trinh bay theo nhitng
chuyen de rieng.

179
 Chudng 5

CAU TAO VAT THE - PHAN CLIC ION

MYC TIEU
1. Gidi thich ctdac nguyen nhan hinh thanh lien ket Van der Waals vet lien ket
hydro.
2. Chi ra chive nha'ng hieu zing cua 2 loaf lien ket tren den tinh chat cua cac chat.
3. Ke ra drive 7 he tinh the va 5 loai mang lzedi tinh the trong cdu tao vat the rein.
4. Du'a vao qui luat phan cu'c ion, xac ctinh dude cinh hdang cua phan cdc ion
den 6 tinh chat cua cac chat.

1. LIEN KET GII-JA CAC PHAN T1

Cdc lien kgt hod hoc c6 the chia thanh 2 loai:
* Lien kgt gifia cac nguyen tii, ion la nhfing lien kgt manh, c6 nang Wong
100-200 kcal/mol. VI du: lien ket Ong hod tri, lien kgt ion, lien kgt kim loai.
* Lien kgt gifia cac phan tit la nhfing lien kgt ygu, c6 nang Wong thliang
nhe3 hem 10 kcal/mol. Vi du: lien kgt Van der Waals, lien ligt hydro.
Loai lien kgt manh da duoc dg cap trong cau tao phan tii. Loai lien kgt
gifia cac phan tit, ma then hinh la lien kgt Van der Waals va lien kgt hydro, la
nhfing lien kgt ygu, nhung quygt dinh nhigu tinh chat quan trong cua vat the.
Du6i day se trinh bay cu the 2 loai lien kgt ygu nay.
1.1. Lien kgt Van der Waals
Khi cac phan tii tigp xtic nhau se phdt sinh laic hitt Ira day. Luc Wong tdc
gifia cac phan tit diicic Van der Waals (nha hod hoc Ha Lan, 1837 - 1923)
nghien cliu dau tien.
Lien ligt Van der Waals, con goi la hic Van der Waals (Vander Waals'
force, thuat ngii do lich sit de lai, thuc chat "luc" CI day la nang Wong), htc gifia
cac phan tit, bao g6m 3 loai chi/1h: htc.dinh huong, he cam fing va
khugch tan.

180
 * 1.4c dinh hudng: luc nay phat sinh khi nhung phan tit c6 (momen
Wong a/c µ # 0) lai gAn nhau. Cac phan tit se dinh hu6ng lai dd cac trong tam
tich dien ngudc dgu but nhau. Cac phan tit sau do dttdc sap x6p theo mot tit t
tu xac dinh (Hinh 5.1).

Hinh 5.1. Si! phat sinh dinh hu'Ong

Nang Wong cua tiling tac dinh dude tinh theo he thfic cua Keesom:
4
Udh (5-1)
3r6 kT
Trong do: Udh la nang Wong to:mg tac cua 2 phan tit c6 momen hong cue
khoang cach r va d nhie't do T.
k la hang so- Boltzmann = 1,38066.10-2' J.°K-1.
Tudng tac dinh huong phu thu6c lon vao µ cua cac phan
* Luc cam ling: luc nay phat sinh khi mot phan tit khong phan ct,ic = 0)
lai gdn mot phan tit c6 a/c san (hoac ion). DUdi the Ong cua dien tntang cua
phan tit c6 cuc (hoac ion), phan tit khong phan cttc bi phan cuc hod, titc la xugt
hien Wang goi la hiang cuc cam ling. Gina 2 phan tit c6 cue san va mai bi
phan cuc hod se but nhau tao thanh Wong cuc cam ling (Hinh 5.2).

Hinh 5.2. Si! phat sinh kid cam ling

Nang Wong cua tttdng tac cam ifng tinh theo he thitc Debye:
2aµ2 (5-2)
U„
r6
Trong d6: a la he so phan cUc hod (d6 bidn clang) cua phan tit.
ChU U„ khong phu thu6c nhiet d6.
* 141c khudch tan: vdi 2 luc ke tren, ngthdi to child thd giai thich dttoc laic
but Wong h8 Oita cac phan tit hoac nguyen tit kh6ng co Wang ctIc san = 0).
VI du, vi sao khi trd c6 the ngung to a trang thai lOng vb. ran. Trong cac phan
nguyen tit, electron luon luon chuyen Ong va cac hat nhan ding dao d6ng

181
kh6ng ngiing quanh vi tri can bang. Tai mot thai didm, tam tich then am (tao
bdi cac dam may electron) va tam deli dien duang (tao bai cac hat nhan) cita
phan tit, nguyen tit lech nhau, hinh thanh Wang cuc tam thai. Lttong clic tam
thai c6 phuong thay d i nhanh chong, dien truang cita no tac d'Ong va tao ra
Wong cuc cam fing doi voi phan tit, nguyen tit ben canh. Nhiing Wong cuc tam
thai ho4c cam ling lai but nhau tao thanh laic khudch tan (Hinh 5.3) (co ten goi
nhtt vay vi su chuydn d6ng, dao d6ng khong ngiing cita cac dien tich ding la
nguyen nhan cita su khuech tan anh sang).

Hinh 5.3. Ski phat sinh Jut khugch tan

Nang Wong cita tlidng tac khuech tan duoc tinh theo he thiic gdn dung
cita London:
3hyo a 2
U kt (5-3)
4 r6
Trong do: h la hang so- Planck = 6,626.10' J.s = 6,626.1027 ec.s
yo la tan s6 cita dao &Ong tit d 0°K.
Nhtt vay, hyo la nang Wong cua phan tit, nguyen tii d d8 khong tuyet dea
(-273,15°C).
Theo he thiic (5-3), htc khuech tan khOng phu thu6c vao nhiet cI8. Nang
Wong khuech tan, holac hien ling khudch tan, ton tai a moi he thong electron
va hat nhan, nghia la a moi nguyen tit, phan tii co ctic sari hoac khong co ctic
san. Dieu nay cho phep giai thich luc hitt gicia cac nguyen tit kill trd (He, Ne,
Ar...); gift cac phan tit trung hoa khong c6 san Wang clic (H2, 02, N2, C12,
CO2...); va ca gifia nhang phan tii c6 cuc (CO, HF, HC1, HBr...). Do Luc but
sinh ra tit Wong tac khuech tan ma cac nguyen tii, phan tit vita ke c6 thd
ngling to thanh vat thd long hoac ran a nhiOt d8 thap. Mat khac, Wang tac
khudch tan phu thutic loin vao kha nang phan cuc hoa caa phan tit, bidu thi
qua he s6 a. Kha nang phan cttc hoa tang khi tang kich thu6c cita nguyen
phan tii. Bai vi, kich tht.t6c nguyen tii, phan tii tang lon thi cac dam may
electron tang 16n, tang de xe dich.khai vi tri can bang voi hat nhan, Wang clIc
dg clang xuat hien. Nhu vay, trong day chat cting kidu cat' tao, thi khi kich
tint& cac nguyen tii tang dan den kich thlt6c phan tii tang, tlidng tac khuech
tan tang 16n din. VI du, HC1 c6 phan luc khuech tan chiem 81% ciia toan bo
hic Wang tac gift cac phan tit; trong khi do, doi v6i HBr la 95%, con voi HI la
99,5%.

182
 * Lien ket Van der Waals: trong truang hop chung, ld tong dm 3 lztc:
dinh hu'Ong + cam a'ng + khue-ch tan. Nang Wong Wong tac (hut) toan phdn Uh
ctuoc xac dinh theo bieu thfic:
1 [ 2µ 4 2 + 3a2 h7°
Uh = (5-4)
r 3 k T + 2aµ 4
A
voi A = [ 21/ 4 + 2 ,3(12 + 3a 2 "°1
r6 3kT 4
Uh mang diu am vi day la tticing tac hit (the nang) giita hai phan tii khi
tao thanh lien ket Van der Waals. Gia tri tuy'et doi cUa Uh cang ion, nang
luong cUa he ctuoc giai phong ra cang nhieu, the nang tra nen chic tieu, lien ket
Van der Waals se cang ben (tfic la nang Wong lien ket cang 16n).
Bang 5.1 cho biet cac thanh phan cua nang Wong lien ket Van der Waals
gifia mot s6 nguyen tii, phan tii. Thong tac khuech tan gal vai tr6 quyet dinh
vi c6 nang Wong ldn nhit trong 3 loci WI:Mg tac ciu thanh lien ket Van der
Waals trithng hop nang Wong dinh hiking la loin nhit c1 cac phan tii ruiac
do phan chic manh nhit, fl(H20) = 1,84D).
Bang 5.1. Cac thanh phgn nang IUong dm lien 1(61
Van der Waals a mot s6 Oen tit (kcal/mol)
Nang hicmg Nang luvng Nang lacing
Phan tit Tang cOng
dinh huang cam ang khua-ch tan
He 0 0 0,06 0,06
Ar 0 0 2,39 2,39
Xe 0 0 5,70 5,70
H2 0 0 0,51 0,51
N2 0 0 2,80 2,80
CH 0 0 5,31 5,31
Cl2 0 0 7,31 7,31
CO 0,0001 0,002 3,04 3,0421
HCI 0,79 0,24 4,02 5,05
HBr 0,26 0,20 7,93 8,39
HI 0,17 0,09 9,40 9,45
NH3 3,82 0,45 4,22 8,49
H2O 8,69 0,46 2,15 11,30

Lip Van der Waals la hic but gala cac phan tii. Vi d6 lon cua hIc nay phu
thu6c vao kich tirade, the tich phan tlif nen a dang thiy rang cac don chit,
hoac cac ho hop chit c6 phan tii cang phlic tap thi nhiet cl6 ming chay, nhiet de
soi cang cao va cang de ngiing to d trang thai long hoac ran, nhu qua mot s6 vi
du sau.

183
 * Vi du 5.1. Nhiet d6 ming chay, nhiet d6 soi va trong thai tap hop cila ho
halogen phu thu6c vao kich thuOc tang clan cua phan tit
Nhiet dO ming chay Trang thai tap hop a
Halogen Nhiet dO soi (°C)
(°C) di6u kien thuong

F2 -223 -187,9 Khi

Cl2 -101 -34,1 Khi
Bre -7,2 58,2 Lang

12 113 184,5 R6n

* Vi du 5.2. Nhiet d6 ming chay, nhiet d6 soi cua khi trd tang theo kich
thuoc nguyen tit
Khi trd He Ne Ar Kr Xe Rn
Nhit do nong _ -71,0
268,8 -248,5 -189,2 -157,0 -111,7
ch5y (°C)
NhrOt do soi (°C) -268,7 -245,9 -185,7 -153,3 -108,0 -62,0

* VI du 5.3. Nhiet d6 n6ng chay, nhiet de soi cUa cdc hydrocarbon no

ChH2h+2 tang clan khi kho'i Wong phan tit tang: nhang chat ddu day c6 n = 1, 2,
3, 4 la chat khi (tit CH, den C41-110); nhiing chat a gala (tit C5H12 den C16 H34) la
chdt lOng va nhiing chat con laid trong thdi ran trong digu kien thuang.
Chu nang hiding thing tac toan phan giita cdc phan -Hi bang tong
nang Wong but (Uh) va nang Wong day (Ud). Mut phan tren da bie't (biL that
5-4) U h = A . Nang luring day ditdc tinh toan va cho bdi he thfic: Ud
voi a la hang so day va n thuang bang 12. Vay, nang Wong tticing tac toan
phan la:
a A
U= (5-5)
rn r6
Nang Wong day phu thu6c vao khoang each r gifia 2 phan tit. Khi r nh6
den mitt nao d6, nang Hiring day xuat hien va tang lon khi r tang nh6. Hinh 5-
4 bigu din su Men thien cua U theo r. tiL tren doing cong fing voi nang
Wong Ueq tai khoang each can bang req giaa cdc phan tit. Chu Y la &tang cong
nay c6 dang tudng tu nhii &fang cong biL din stt phu thu6c nang ludng lien
ke't tong hod tri hoac the nang phan tit ion vao khoang cach giita cdc nguyen
tit hoac ion. Tuy nhien, Ueq cila lien ke't Van der Waals nh6 hdn nhi6u va req
lOn hdn nhieu so NT& lien ke't tong hod tri hoac ion. Lien ke't Van der Waals, vi
vay la lien ke't ye-u. Nang Wong lien ke't thuong nh6 hdn 10 kcal/mol.

184
 U,

>r

Hinh 5.4. &long cong the nang cua tudng tac giCta cac phan to
khi hinh thanh lien ket Van der Waals

1.2. Lien ket hydro

Trong cac thanh phan cita lkic Van der Waals, laic dinh hitting c6 gia tri
rat lon d cac phan tit NH3, HC1 va dac biet 16n i3 cac phan to nuoc (Bang 5.1).
Dieu nay lien quan den ski xugt hien mot loai lien ket khac gitia cac phan tit,
goi la lien ket hydro ho4c cau not hydro. Gia du chi dkia vao lkic Van der Waals
thu'an tuST de tinh toan va tick Wong thi rutoc phai c6 nhiet do nong chay
khoang -100°C, nhiet d8 soi khoang -80°C va &tong nhien phai la chgt khi
di6u kien tintang. Dieu do khong xay ra, vi gicia cac phan tit nu& c6 lien IC&
hydro manh.
Ban chgt va sv hinh thanh lien kgt hydro duoc giai thich nhii sau: khi
nguyen tit hydro lien kgt Ong boa tri voi mot nguyen to X c6 d8 am dien 16n
thi dam may ciia. cap electron ban dau dung chung cho 2 nguyen tit se bi dich
chuyen manh ve' phia X. Nguyen tit hydro mgt dam may electron, chi con lai
mot hat nhan nguyen tit la proton trd troi phia ngoai X. Orbital is cita hydro
coi nint khong con electron (o Wong tit trong) nen de clang thu nhan mot cap
electron mdi. Neu a nguyen to Y nao do lai san c6 cap electron tit do chtta
tham gia vao lien ket thi cau neit hydro duoc hinh thanh (14. hieu Lang &tang
chgm chgm):
X - H ••• Y
C6 ten goi la lien ket hydro vi chi c6 nguyen tit hydro khi bi mat electron
lien ket int% de lai mot proton trail c6 kith thltdc da'c biet nh6 be nen a dang
xam nhap vao ye) electron cita cac nguyen tit khac ma tao thanh cau not
(nhfing nguyen to khac khi mgt electron hod tri thi van con cac lop electron
ben trong nen se bi clay ngu tiep xtic NT& cac nguyen tit tich dien am).

185
 Mut vay d6 hinh thanh lien kdt hydro can có hai didu kidn:
- Nguyen tit hydro phai lien lidt voi mot nguyen tit X có do am didn16n, tao
nen mot lien kdt tong hod tri phan cttc manh:
- CO nguyen to Y ciing có di) am din 16n va co cap electron t1.1 do dd
(cila lien kdt neu tren) xam nhdp va tao thanh cdu
O nhidu chdt, mac du nguyen to X có dO am din khong loin nhung ben
canh no có nguyen tit am didn manh thi van xudt hidn lien kdt hydro, vf. du
HCN, HCF3... Cap electron tit do o Y thuang la mot orbital có dinh huong theo
mot pinking xac dinh nen có the xem lien kdt hydro la mot loai luc dinh hitting
trong luc Van der Waals. Nang Wong lien kdt hydro khoang 2-10 kcal/mol, loin
hdn cac loai luc thanh phdri caa lien kdt Van der Waals nhung nh6 hdn nhidu
so v6i. nang Wong cac loai lien kdt hod hoc chInh thong. DO dai lien kdt hydro
loin hdn dO dai lien lidt hod hoc. Do nhang dac tinh do lien kdt hydro thuOc loai
lien li6t y6u gifia cac phan tit. Bang 5.2 cho bidt nang Wong trung binh mot s6
loai lien kdt hydro.
Si nghien clau ly thuy6t v6 lien kdt hydro tren cd s6 cua cd hoc Wong tit
hidn nay van con ti6p tuc.
Bang 5.2. Nang lacing cOa mot s6 loaf lien ket hydro
Lien ket hydro Nang lu'ong lien ket (kcal/mol)
F - H F 7
0 - H 0
0 - H N 4-7
C - H 0 2-3
N- H 0 2-3
N- H N 1,3
C -H IC electron (*) 2-4

(*) lien kdt hydro H -.• it electron xudt hidn

trong phan tit o-etynylphenol:
Su tao thanh lien kdt hydro cho phep giai CC—H
thich nhieu dac tinh 1ST hoa cia' a cac chA.
1.2.1. Lien ket hydro cinh hudng den trang
thai tap hdp chat
* VI du 5.4. Cac phan tit c6 th6 hinh thanh dimer, polymer:
/0 • • • HO\ /0 • • FIO\

HC 121° CH 1-13C—c 121° C—CI-13

//
// OH • • • 0
OH • • • 0
dimer dm acid acetic (CH3COOH)2
dimer dm acid formic (HCOOH)2

186
 . •H H • • H
134° F
ph5n tit acid hydrofluoric (HFL

•• • 0 / OH • - .• 0 OH • • • 0 OH • • •
/
C C C
I I I
R R R

polymer dm acid carboxylic

* Vi du 5-5. Cau triic tit dien dia tinh the nitoc da do lien ket hydro:

HF, H2 O va nhieu chgt khac nha có lien ket hydro ma hinh thanh cac
polymer có kh6i lacing phan tit lin nen On tai o trang thai king (hoac ran)
trong diet' kien
Trong tinh the rutoc da, mot phan tit H2O có 4 lien ket hydro vOi 4 phan
tii H2 O khac, tao nen nhang hinh tit dien clew. Ki6n truc tii dien khong dac
khit, kha rfing, nen mteic da nhe, có kh6i Wong rieng nha, not tren mat int&
Khi mieic da /long chay c1 0°C, có kheang 15% lien ket hydro bi pha hug,
cac phan tii ritteic sap x6p dac khit hdn, niteic giam the tich va tang kh6i Wong
rieng. N6u ti6p tuc tang nhiet dO, nit& da chay long hoan toan, cac lau dai tit
dien voi nhang lien ket hydro ti6p tuc bi pha hug, nhieu phan tii nit& sit lai
ga.'n nhau, the tich ti6p tuc giam va kh6i Wong rieng tip tuc tang. Tuy nhien,
a nhiet do cao ban 4°C, do ski gian no nhiet nen the tich nuoc tang, kh6i Wong
rieng bAt ddu giam. VI vay, khoi hicing rieng cua nttcic dat ale dai d 4°C.

187
1.2.2. Lien het hydro tao ra vong not phtin tee

* Vi du 5.6.
0, 0.
C
C,O 1
0 H
0
0 o-nitrophenol

aldehyd salicylic anion cOa acid salicylic

1.2.3. Lien Vet hydro dnh hating din d() di On

- ly ceta acid, base

*VI du 5.7. 0,
'C'°H

HO OH
(2)
(1)
acid 3,5-dioxybenzoic
acid 2,6-dioxybenzoic

6 chat (1), do eau hinh khong gian thuan loi nen có hai lien ke't hydro tao ra
cac vong not phan tit, do do da lam giam do dien ly ra ion H+ dia cac nhom chlic
acid. Digu nay lam cho chat (1) có tinh acid ygu hon 550 l&n. so voi chat (2).
* VI du 5.8. Tit nang Wong Gibbs 4 = - RT1nK ngttdt to tinh ditoc
hang s6 dien ly K dia cac acid HX (X = F, Cl, Br, I) trong dung dich /Woe:
Acid HF HC1 HBr HI

K 7,2.10' 1,5.10' 1,2.109 4,9.1010

Acid HF có hang s6dien ly nhe) bat thttang trong ho HX do stt hinh thanh
lien ke't hydro manh, lam can tra sit dien ly cua phan tit HF khac:

HF + H2O F + H30+ (1) K = 7,2.10-4

F + HF HF2 (2) K = 5,1

Can bang (2) ton tai do lien ke't hydro El -- HF.

Vi vay, khi trung hoa HF bang KOH thu ditoc muili acid KHF2.
* Vi du 5.9. G6c NH 4+ va OH tao ra mot base ye-u vi có lien ke-t hydro:
NH4
- - • OH-

188
 Neu thay H trong NH4+ bang cac g6c ankyl R thi lien ke't hydro kern ddn,
tinh base cila hop chgt tang. Khi thay the 4H bang 4R, lien ke't hydro khong con
naa, do do hop chat NR4OH la mat base manh, Wong &tong voi hydroxyd kiem.

1.2.4. Lien het hydro lam tang nhiet d6 chi:9(y (red, nhiet d6 soi (t°) cela chat
* Vi du 5.10.
ft H20 t°C A
100 40 HF

60 0
20 H2Te
-40
-20 ,se
HS -80
-60
-100 I I I I> -120 '
20 60 100 20 40 60 80 100 120 Nl
Hinh 5.5. Su' phy thu6c rch (*), t's (o) ctlia ho Nip chit H2Y
(Y = 0, S, Se, Te) va HX (X = F, CI, Br, I) vao kh6i lacing ph5n tit M.
Tit hinh 5.5. cho thgy: t°ch, t's cua hdu het cac chat ddu tang theo khoi
lttOng phan tit, phii hop voi cach giai thich la do hic Van der Waals manh ddn.
Rieng H2O va HF có t°,1, va t's lOn bgt thuang, mac du cluing có khoi Wong
phan tii nhO nhgt trong ho chat Wong ling. Digu nay &toe giai thich de clang
dila vao sit hinh thanh lien ke't hydro manh da trimg hop cac phan tit, tao ra
nhang phan tit có kh6i luong lon bgt thuang (H2O),,; (HF)„ (xem vi du 5-4, 5-5).
Khi chuye'n cac chgt nay tit ran sang lOng (nong chay), hoac tit l'Ong sang hoi
(soi) thi ngoai nang Wong can thigt de pha va lien ke't Van der Waals con can
cung cap them mot nang Wong de lam dirt can lien ke't hydro, ke't qua la t°ch, t's
dia chung phai cao hnn nhieu so v6i nhfing chit ding ho nhung khong t5o
du6c lien kgt hydro lien phan

1.2.5. Lien kit hydro lam tang de tan caa chat

Tit bang 5-2, co the thgy lien ke't hydro giiia cac chat hilu co chila nhorn
chiic alcol, amin, carboxylic, ceton, este, ete, aldehyd voi cac phan tit dung moi
H2O theo so dd:
H R
/ /
R—O—H • •• 0 N—H • -
/
H R H

189
 R R-0ff 0
/ \
C=0 H-0 H H
C=0 H-0
\ ,,0
H
R—C H
R R z,0.•. /
\ OH • • • 0
0 ••• H-0 \ C 11
// \
/ \ / H
R H H /\o
H
GO'c R cang nhO, dO tan ci1a chat cang lon. VI thg metanol, ruou etylic,
acid acetic, aceton tan vo han trong nuoc. Trong khi cac alcol va acid có g6c R
16n, chat biet la cac hydrocarbon rat it tan. Tuy nhien, ngu phan tit chat tan
tao &toe nhigu cdu not hydro voi phan tit dung med., thi tuy khol ltiOng phan tit
khong nhO, nhu glucose, saccarose, polyvinylalcol... van tan tot trong milk; con
protid, tinh bOt tao nhung dung dich keo.
Tinh tan cila cac chat dttoc xet tren day cling cho thay: alcol, amin, acid
carboxylic tan trong nitric c6 the (long vai tro chat cho hay nhan proton khi tao
thanh lien kgt hydro. Nhung ceton, este, ete va aldehyd trong mi6c chi do the
la chat nhan proton, la nhiing base.
Lien kgt hydro con gay ra nhigu bign d6i tren dac tinh cua cac phan tit
chat nhtt ph6 hang ngoai, ph6 dien tit, ph6 Ong htaing hat nhan.
Lien kgt hydro On tai ph6 bign ya dong vai tro quan trong trong the gioi
vO co, hitu co va trong cac co the song. N6 quydt dinh nhigu tinh chat ciia cac
phan tit sinh hoc niut protein, acid nucleic va ngay ca hoat &Ong ve tu duy va
thong tin di truygn.

2. CAC TRANG THAI TAP HOP CHAT

Thong thuang, vat chat ton tai d ba trang thai la khi, long va ran.
Gift cac tieu phan chat (phan tit, nguyen tit, ion) c6 hai loai luc tac dung:
Lkic do chuyen Ong nhiet duoc, the hien (tong 'fang Ed cac tieu
e
phan. Ed cang lon, cac tieu phan chuyen thing cang hon On va xa nhau ra.
Luc but the hien qua thg nang Uh Wong tac gala cac tieu phan. Lvc but
lam cac tieu phan gAn nhau lai. Thong quan gala hai loci laic nay quygt di/1h
trang thai tap hop ciia cac chat.
Ngu Ed >> Uh, chat ton tai o the khi, cac tieu phan sap xgp 116. n &On.
Ngu Ed Uh, chat ngung to d the fang, cac tieu phan sap xdp tr4t ti hon.
Ngu Ed << Uh, thi chat ngung to d the ran, cac tieu phan sap xgp hohn
toan trat tit theo qui luat.

190
 nhfing nhi6t d6 khong cao, nguyen 1ST vitng b6n chi ra rang: he vat chat
luon c6 xu holing tra v6 not nang clic tieu. Khi ay, h6 giai phong ra nang
Ming, cac tieu phan ngung to va sap x6p c6 trat tit. Do, do, qua trinh h6
chuyen tit th6 khi sang the 'Ong,. hoac tit the long sang the ran se luon luon
phat nhi6t (\H < 0). Nguoc lai, qua trinh ming chay va bay hdi lai lam luon
thu nhiet (OH > 0). CO the hinh dung qua trinh chuy6n trang thai:
Phat nhit
Hon On S Trfit to

Thu nhi4't
a
Nhi6t do cac thai di6m chuy6n trang thai cua mot chat trong di6u kin
thuang dude th6 hi6n theo qua trinh:
eh, tae
Khi LOng
es ech
nhiet d6 hod long (= tips) Vdd: nhi6t dO &Ong dac (= t'd,)
(con c6 nhi6t d6 thang hoa, nhi6t d6 toi ban, nhiet d6 Eutecti... dude de
cap trong can bang pha).
2.1. Trang thai khi
a
Cac tieu phan khi each xa nhau, mat d6 nhO; Wong tac giiia chiing
y6u; chuy6n dOng h8n don hitting theo tat ca cac phuong. Chung co kha
nang khu6ch tan 16n, chi6m toan b6 th6 tich binh dung. Do do chat khi
khOng c6 hinh clang va the tich nhat dinh. Cac phan tit khi co d6ng nang
16n, lien tut va cham vao cac 136 mat gith han thong, gay nen dp suat tren
moi don vi dien tich.
nhie't d'6 khong qua thap va dp suat khong qua cao so voi di6u kien
thitang, hfiu h6t cac chat khi tuan theo phuong trinh trang thai cua khi 1ST
Wang, la khi dude gia dinh rang cac phan tit co th6 tich va hic Wong tac giiia
thong bang khong:
PV = nRT (5-6)
V6i: P: dp suat khi
V: th6 tich khi
n: so" mol khi
T: nhi6t d6 tuyel doi (v6i 0°K = -273,15°C)
R: hang s6 khi. TuST theo don vi tinh cua ap suat va the tich, R co
cac gia tri va don vi cua this nguyen khac nhau.
(Cac dinh luat ve khilST Wang da de cap ii chilling 1).
Voi khi thuc, cac phan di co th6 tich va Wong tac voi nhau, can lip dung
plutOng trinh Van der Waals da dieu chinh cac so hang P va V:

191
 n2 (5-7)
(P + v 2a ) - nb) = nRT

Trong d6: a la hang s6 bd chinh cho P

b la hang so- b6 chinh cho V
M6i chat khi c6 mot nhidt dd toi han TK. Ndu nhidt dd khi thap hon TK,
ap suat tang se lam khi ngung to thanh chat lOng. Ndu nhidt do lon hdn TK thi
khOng thd lam khi hoa lOng duoi bat kST dp suat nap. Ap suat toi han PK la dp
suat thap nhat ma tai nhidt dd TK chat khi con c6 thd hod lOng. TK, PK IA
nhang hang so vat ly dac trung cho raj chat khi. Theo d6, the tich khi ling vdi
didu kidn TK, PK clang la mot hang s6, goi 1a thd tich tdi han VK. Tai day, thd
tich cua khi va cila chat icing bang nhau, chUng c6 tST' kh6i nhu nhau. Bang 5.3
dila ra cdc gid tri TK, PK va VK cua mot s6chdt.
Bang 5.3. Cac hAng s6 toi han
Mfg TK (°C) PK (atm) VK (I/M01)

H2 -240,0 12,8 0,065

N2 -147,0 33,5 0,090
02 -119,0 49,7 0,074
CO2 31,0 72,9 0,094
C l2 144,0 76,2 0,124
NH3 132,3 111,2 0,725
SO2 157,5 77,8 0,122
C6H6 289,5 48,6 0,260
H2O 374,0 218,3 0,056

2.2. Tran.g thai long

Cac ti6u phan chat long c6 khoang each gdn nhau hdn nhidu so vdi chat 6
trang thdi khi. IA/c ttiOng tdc giiia cac tieu phan (laic hut) lon. I.41c nay tuy
clam du de co dinh cdc tidu phan nhu trong chat ran, nhting da gill duoc chung
khong chuyen gong hon ddn nInt trong chat khi. Vi vAy, chat 'Ong chtia c6 hinh
dang c6 dinh, nhung co thd tich xdc dinh.
Khdc vdi chat ran c6 su phan b6 ddu d'an cdc tidu phan trong toan ma.ng
103i tinh thd (tinh trat ti xa), cdc tidu phan chat lOng chi sap xep c6 trat tU 6
nhfing phAn thd tich nhO g6m vai chuc den vai tram tidu phan (tinh trat tti
g'an). Nhom tidu phan c6 trat tu nay nhu mot vi tinh thd, hinh thanh va bi phd
huST nhanh thong trong chat lOng.
Do chi c6 tinh trat ti gdn ma cdc ti6u phan chat lOng duoc b6 tri khong
dac khit nhat, gifia chung con nhang to trong, khoang each trung binh gifia
cdc ti6u phan lon lion so veil chat ran cd 3%. Vi vay da s6 chat ran khi hod 'Ong
ddu tang them thd arch khoang 10%.

192
2.3. Chat ran
2.3.1. Trang thai tinh the' vet vo dinh hinh
Chat rain c6 2 loci: tinh thd va vo dinh hinh.
Hau het cdc chat ran la tinh thd. Chung c6 3 dac didm quan trong:
* Tinh thd c6 hinh clang hoan than xac dinh. Nguyen nhan vi giiia cdc
tieu phan c6 laic Wong tic lon; cdc tieu phan chi dao dOng quanh vi tri can
bang nhat dinh va sap xep theo trdt tut nghi8m ng4.'t trong toan 130 ming tinh
thd (tinh trdt tki xa).
*Tinh thd c6 nhiet dO nong chay xac dinh.
*Tinh thd co tinh di httong (tinh yecto), nghia la cdc tinh chat co, quang,
nhiet, dien, van to-c hoa tan theo nhiing phuong khdc nhau se khong giong
nhau. Vi du, laic cat theo phudng &tang cheo cua mot tinh the hinh ldp phitang
mu6i an 16n gap 2,5 lin so \red hie cat theo phtiong thing thing. Dieu do cho
biet ctO ben cua tinh thd muoi an theo pinking thing dUng nho hon 2,5 Lan so
vdi phuong (fang cheo. Hoac khi dot nong tai mot didm tren mat dd van mau,
chat ran se chay lOng theo hinh bau due, nghia la ski truy6n nhiet theo hitOng
nay tot hdn Iniong khdc.
Trdi lai, cac chat vo dinh hinh la trong thdi trung gian giiia chat lOng va
tinh thd. Chung dace phan biet voi tinh the 6 3 dac diem ngitoc lai. D6 la:
* Chat vo dinh hinh khong co hinh dang xac dinh. Cac tieu phan sap xe"p
hon dOn, chi mot phan trdt ti (tinh trdt tki gin gio-ng chat lOng). VI du: sap
ong, parafin c6 hinh thu theo each Ilan; thug tinh lOng khi dd nguOi r'6i ran lai
khong theo mot dang hinh nao.
* Chat vo dinh hinh khong c6 nhiet dO nong chay xac dinh. VI du: nhkta
thong, cao su khi dot nong thi mem din ra va hod king hoan toan. Hoac thug
tinh d 500°C da mem, nhun va hoan toan lOng 6 1100°C.
* Cdc tinh chat ciia chat vo dinh hinh la clang hitong. VI du: thug tinh vd
khong c6 chieu ttu tien; sap ong nong chay theo mat tron khi gi mot mui dui
clang nong len be mat.
Nhiing dac tinh neu tren dd phan biet tinh the va chat vo dinh hinh,
trong thkic te, khong hoan toan nghiem ng4A. Trong nhiing dieu hen khdc
nhau, cung mot chat co thd ton tai 6 dang tinh the hay clang vo dinh hinh,
hoac co thd chuydn tit clang vo dinh hinh thanh tinh the (nhUng khong the
chuydn tit tinh thd sang vo dinh hinh). Ngay trong thug tinh la chat vo dinh
hinh van c6 eau true vi tinh thd.
2.3.2. Hinh clang tinh the'
Tinh thd cua nhiing chat khdc nhau c6 hinh clang be ngoai rat da dang.
Khi vd, tinh thd ctd to ri3 nhang mat nh'6xep thanh nhiing g6c khac nhau anh

193
len do chung phan chieu anh sang tit nhidu goc d6 (vi du, tinh the &tang, iod,
ltiu huSrnh, kim loai). Neu tinh the rat nha, ngtiai ta c6 the nh6 soi kinh hien
vi de thAy.
Dd nhan ra cac tinh thd cua clung mot khoang chAt, ngttai ta can cif vao
dinh luat goc Oita hal mat da cho cua tinh thd' là khong dOi. VI du: goc gifia 2
mat cua tinh thd mu6i an luOn Ilion bang 90°.
Co the hinh dung tinh the &toe hinh thanh nhit sti dich chuydn mot
mang ccl s6 (te bao co ban) doc theo cac pinking cua ba true toa d6. Mai O mang
co s6 giong nlut mot hinh h6p c6 3 canh a, b, c (na.'m tren 3 true too. d6 qua mot
didm) va 3 goc gii a. cluing là a, 13, y. 0 mang cO s6 c6 cac tinh d6i xiing giong
tinh thd'.
Dd phan loai cac tinh thd theo hinh ding cila cling, ngttoi ta can cif vao
cac yeu t6 d6i xitng. Co 3 376.1 to d6i )(ling thtiOng duoc sii dung IA:
Tam clew xeing la mot didm ben trong tinh the, chia nhfing phan cua bAt
cif &tong thang nao di qua diem d6 va dtioc giOi hanb6i. hai mat deli din caa
tinh thd thanh 2 phan bang nhau. Vi du, khol lap pinking c6 tam d6i xiing la
giao didm cita 2 doing cheo (Hinh 5.6a).
Meit ciroi xting là mit mat tang Wong chia tinh the lam 2 phan phan xa
gtiong vOi nhau - nint vat va. anh cua no qua gliong. Vi du, kh6i lap pinking c6
3 mat d6i xiing di qua diem giiia cua cac canh song song va 3 mat d6i xitng di
qua 2 dtiOng cheo song song cila 2 mat d6i dian (Hinh 5.6b).
Truc c of xiing là dttOng thing (truc) di qua tinh thd, khi quay tinh thd
360° quanh true nay thi tinh thd' trung lap n 'An. S6 n goi la bac cila true d6i
n c6 thd là 2, 3, 4 hoac 6, nluing khong bang 5 hoac loin hon 6 vi khong
tim thy sit tttoing thich voi b6tri khong gian cua cac nguyen tii, phan tii trong
tinh the. VI du, kheci lap plating c6 truc d6i xiing bac 4 (n = 4) là doing thang
di qua tam 2 mat d6i dien, khi quay tinh thd 360° quanh true nay thi tinh the
c6 4 Ian trung 16p. Ditang thang n6i lidn 2 dinh don din cua khoi lap plutong
la truc d6i xiing bac 3, con &tong thang not lien 2 trung didm cila 2 canh nam
trong mat phang cheo là truc d6i 'cling bac 2 (Hinh 5.6c).

RIM
a
lw
Hinh 5.6. Cac yau to doi xitng dia kh6i lap phu'Ong

194
 TuST theo Wong quan gliita cac canh va goc dm o mang cd sd (Hinh 5.7)
ma ta ca cac chgt ran &topic phan chia thanh 7 he tinh the veil cac 3761.1 to
)(ling dac trting (Bang 5.4).

120°
a

H6 16p phu'Ong H6 tit phu'ong H6 lyc phu'ong

H6 tryc thoi He don ta H6 tam ta

Hinh 5.7. H6 th6ng tryc va goc cOa 7 h6 tinh th'd

Bang 5.4. Canh, goc va ygu to doi xCtng caa 7 h6 tinh thd

Canh cila 6 Ye-u to d'61 ximg t6i thigu

He tinh thg G6c
mang
1. L6p phu'ong a=b=c a= 13 = y= 90° Nhi6u tryc d6i xang b6c 4, 3, 2

2. Tit phtiong a=b c a= p = y= 90° Chi có 1 tryc d6i xCtng b'6c 4

a = 13 = 90°
3. Luc phu'ong a=b c Mot tryc d6i xCtng b6c 6
y = 120°
4. M6t thoi a=b=c a =13 =y# 90° Chi c6 1 tryc b6c 3
Nhi6u tryc d6ixang b6c 2 (ho6c met d61
5. Try'c thoi a b c a= 13 = y = 90°
xang)
a=y= 90° Chi có 1 tryc b6c 2 (ho6c mat dOi xCtng)
6. Don ta a b c hay ca hal
(3#90°
Chi co tam d6i xCrng nghich dao, ho6c
7. Tam ta a b c a [3# y#90°
kh6ng c6 y'eu t6 d6i xang nao

Trif he don ta va tam ta, cac he tinh the khac thang c6 nhigu yeti to cloi
xitng hon con so- ghi d Bang 5.4.

195
 Khi slat cac tidu phan (ion, nguyen tit, phan vao nhfing gOc cita
mang cc; sCi cila. 7 he tinh the c6 the thu dttoc 7 mang didm khac nhau. Tuy
nhien, c6 14 pinking phap phan b6 cac didm trong khong gian sao cho moi
diem c6 s6 diem khac bao quanh giong nhau (su pho'i tri nhtt nhau). Goi day la
mang Bravais (nha tinh the hoc ngtiai Phap). Nguai ta cling chi ra rang chi c6
the c6 14 mang diem nhtt vay. Do d6, 7 he tinh the dttoc neu es bang 5.4 la 7
mang luoi Bravais don gian. Mang luoi. Bravais day du phai la 14 (Hinh 5.8).

He tit phYong He lep phYong He lyc phu'ong

I;
•

He met thoi He tryc thoi

He don ta He tam ta
Hinh 5.8. Hinh dang cac tinh the (14 mang lubi Bravais)
Trong thip t6 thuang rat it gap cac tinh the c6 hinh dang hoan toan dung
kidu nhtt cac he tinh the da ve, vi trong qua trinh ket tinh to'c dO 16n len cita
tinh the theo cac chieu khac nhau khong deu nhau (do tit-1h bat dang hitting
cua tinh thd) va vi trong dung dich c6 mat chat la c6 the dttoc tiu tien hap thu
mot s6 be mat nao day cua tinh the. Cac sai hOng cau trot cua tinh the con
&toe phan bit la sai hong didm, dating, be mat, dac biat la loai nut trong
trong vat lieu ban dan (tuy nhien can nh6 rang g6c gifia cac mat cita tinh the
cita mot khoang chat cho san van gift nguyen, khong doi). Mu6n c6 dang tinh
the hohn thian, van Vic ke't tinh tang cham tang tot dd cac nguyen tit, phan tit
c6 du thai gian tim dung cho cita chting trong mang tinh the. Muo'n nuoi
nhfing tinh the 16n, ngttai ta nau ming chay muoi sach trong cher' nung va sau

196
do ti ctang khang chg van t6c cho no nguai mat cach va ding cham. Bang cach
nay c6 the thu cluoc nhang tinh thg 16n, trong su6t va tinh khigt c6 kich thtfac
hang cm cUa mu6i NaC1, AgC1, KBr, LiF... dung trong quang ph6 hang ngoai.
Cling do qua trinh kgt tinh xay ra rat cham (nhigu trigu nam) ma tinh the cila
cac khoang vat trong thien nhien luan luan c6 kich ant& lon.
2.3.3. Hien tu'vng cicing hinh va da hinh
Cac chat clang hinh la nhUng chat c6 cling mat dang tinh thg nhiing
thanh phdn va ban chat boa hoc dia chung chi gdn giong nhau. Vi du:
• MgCO3, CaCO3, ZnCO3 yd. FeCO3 (Hg tam ta)
• SrSO4, BaSO4 va PbSO4 (Hg trite thoi)
• MgSO4.7H20, ZnSO4.7H20 va NiSO4.7H20 (Hg trilc thoi)
• K2SO4.Al2(SO4)3.24H20 va K2SO4.Cr2(SO4)3.24H20 (Hinh tam mat)
la nhang chat clang hinh. O mai day, cac chat c6 ding eau talc mang tinh
thg. Cac cation trong mai day c6 dign tich va ban kinh gdn bang nhau.
da hinh la hign tuong ma mat chat trong nhfing digu kin
kgt tinh khac nhau c6 the cho nhiing clang tinh thg khac nhau. Vi du:
NH4NO3 c6 thg d dang don ta, tam ta va lap phitcing;
S c6 thg la din ta, tam ta;
C c6 thg la lap phutong (kim dicing) hoac luc phuong (than chi)
Chu Sr phan bigt hign Wong da hinh (lien quan dgn sit khac nhau vd kign
truc tinh thg cila don chat va ca hop chat) va hign Wong tin). hinh (lien quan
dgn cat' tao phan tit hoac kign true tinh thg chi cUa don chat). Vi du: 02 va 03
(ozon) la 2 dang thu hinh cua oxy. Luu huSmh don ta va luu huSTnh tam ta la 2
dang da hinh va cling la 2 clang thu hinh cua nguyen to ltiu huSmh. Mut vay,
d6i voi clan chat ran, khai niem thu hinh va da hinh la thong nhat NT& nhau.
2.3.4. Lien ket hod hoc trong tinh thi
Trang thai tinh thg cua cac chat ton tai la do ben trong no c6 cac luc lien
kgt khac nhau gifia cac tieu phan. Trong tinh thg, mai tieu phan (ion, nguyen
phan tit) chigm mat digm nut cila mang TuST loaf tieu phan va kieu
lien kgt glita chUng ma tinh thg c6 nhUng tinh chat khac nhau. Thifc t6 nhut ski
phan loai chi& day nhigu khi khong c6 mat ranh giOi that ra rang.
* Tinh thg ion:
Tigu phan trong loai tinh thg nay la cac cation va anion. M'ai ion chigm cii
mat nut manglu6i. Ion ditoc xem la nhfing hinh cau c6 ban kinh xac dinh. Vi du,
mang tinh thg cua NaCl d Hinh 5.9. Trong tinh thg, khai nigm phan tit rieng le
NaClkhOng cony nghia. ca tinh thg la cau true mat phan kh6ng la.

197
 Hinh 5.9. Mang tinh thd ion coa NaCI (m6i ion &tog bao quanh bai 6 ion khac)
Lien ket gitia cdc tieu phan la lien kdt ion do laic but tinh didn Coulomb
khong dinh htii3ng, khong c6 tinh bao hoa (vi dien trtiang cua cdc ion c6 dea
)(ling cau).
DO ben cua mang htoi ion diloc ddnh gid bang pa ng mang lu'6'i Um,
let ming lacing ctu'dc giai ph6ng trong quci trinh hinh thanh 1 mol chlit tinh thi
a
tie ccle ion trang thai cd bcin a 0°K. VI du, Unil cua NaC1 la -183kcal/mol. Ve
gid tri tuydt dol, day cling la nang Wong can thidt dd phd va toan be 1 phan tii
gam tinh thd NaC1 thanh nhiing ion tdch biet. Nang Wong mang ltidi quydt
dinh de ben, de hoa tan va nhieu tinh chat khdc cua tinh thd.
Do nang Wong lien kdt ion (thd hien qua nang Wong mang ht6i) lon, nen
cac hop chat ion c6 nhidt de nong chay, nhiet dO sei cao. VI du, t°ch cua NaCl la
800°C va t's la 1440°C; gid tri Wang iing cUa BaO la 1925°C va 2000°C, ciia
MgO IA 2642°C va —2800°C.
Cdc hop chat ion c6 dO ran Ion, do ben cao, nhting 10 rat glen (de gay, de
va vun) va rat It tinh deo (vi khi bidn clang - trtiot, tinh dea xiing cUa s1.1 phan
136 then tich bi vi pham manh, cdc ion ding dau d6i dien nhau tao ra luc ddy
gifita cdc lop).
a
Cdc hop chat ion dang tinh thd khong clan didn, vi trong ion cdc
electron chuygn Ong tren nhiing orbital nhat dinh. Tuy nhien, c1 trang thdi
ruing chay, thong la nhiing chat clan didn do chInh si chuydn deng cua cdc ion.
Cdc hop chat ion de hoa tan trong rut& vi nang Wong can thidt dd phd va
mang ltidi tinh thd ditoc cung cap bOi qud trinh hydrat hod. Mat \ray, nang
Wong mang litOi tang lc3n (ye gia tri tuyet d6i), de tan tang giam (do nang
Wong hydrat hod khong du bu cho nang Wong phd va mang tinh thd) va ngtiOc
lai. VI du, xem Bang 5.5.
Bang 5.5. Quan he giCia nang kidng mang Itch va de tan d 18°C
dm Flo haphgt florid kim loaf kim
iF NaF KF RbF
Nang Itiong mang lutti (kcal/mol) -243,6 -213,0 -189,0 -180,6
Nang Itiong hydrat hoa (kcal/mol) -245,2 -217,8 -197,8 -192,7
Dii hoa tan (g/100g nutc) 0,26 4,22 48,0 dg tan

198
 Tuong quan neu tren cal-1g dung cho cac ho hop chat halogenid cua kim
loci kiem; hydroxyd cUa kim loci hem th6...
Rieng d6i vesi cac anion ph& tap S042-, C032-, P043-... da co san ban kinh
lon, thi yeu to ban kinh dm cation lien ket khong con gift vai tro trong nang
Wong mang ittdi. Yeu to quyet Binh cua qud trinh hoa tan la nang hiOng
hydrat hod dia. anion. Su hydrat hod anion cang manh neu kem theo bi phan
clic manh do cation ngoai anion pink co ban lamb nlie) (gay phan clic manh).
Nhu vay, d6i voi cac anion ban kinh 18n, cation ngoai co ban hi-1h cang nhO, di)
tan cang lon va ngttoc lai. VI du, d0 tan caa MgSO4, CaSO4, •SrSO4, BaSO4
giam dan tit a tan (MgSO4) den rat It tan (BaSO4). Apt khdc, neu anion có
dien tich tang dan lam cho nang Wong mang lttdi lon dan, thi dQ tan dia mu6i
giam. VI du, mu6i cua ding mot cation cila NO3-, S042-, P043- co d0 tan giam
dan. Cung voi 1ST do Wong tu ma cac oxyd it hoa tan hdn cac halogenid.
Tuy nhien, cac m6i tudng quan tren day chua duoc bieu thfic hod chat
the nen con nhfing truang hop ngoai le ma khi du dodn d0 tan Gila mot chat
hoac ho hop chat can ket hop xem xet mot so yeu t6Anh Intang khdc
Tinh the ion la dac trung cho phan lon cac hop chat vo co.
* Tinh the phan tit:
Tieu phan chiem cit cac diem nut ciia mang ludi tinh the la nhiing phan
tit trung hoa (hoac nhung nguyen tit ciia khi tro). Vi du, tinh the phan
mot s6 chat d Hinh 5.10.

i1 t

a
. 9*

phan to
40 j•
'NJ
14-4
,

nut mang
b
Hinh 5.10. a - Mang lu'oi luc phu'ong cOa Mg ran
b - Mang 11101 lap phuong dm 12 (va cila CO2, khi do nut
mang la vi tri cua nguyen tCt C)
c - Tinh thg naphtalen

199
 Lien kdt giiia cac tieu phan la luc Van der Waals. Nhtt da bidt, ltfc nay
y6u bon nhidu so vdi lien kdt hod hoc thuc thu, nen nang Wong mang hi& nhO,
dac biet la tinh the cua cac khi trd.
Do dac didm cua tidu phan va do nang Wong mang nh6 ma tinh thd
phan tit c6 nhfing tinh chat chung:
+ Mem, de bi tach rieng, deo
+ Nhiet dO nong chay thap (hau nhu khong qua 300°C).
+ De tan trong dung mei khong phan ctic.
+ Hod tinh cUa tinh thd do cac phan tit rieng re trong mang luOi quyet
dinh, nen quang ph6 cua tinh thd khong khac nhidu so vdi quang ph6
cUa dung dich chila chat Wong ling.
S6 luting cac chat c6 mang tinh the phan tit rat lon: 02, H2, N2, F2, C12,
Bre, 12, CO2, H2O, cac khi trd... va hau hdt cac chat hau co.
* Tinh the nguyen tit
Tidu phan d cac didm nut cila mang kith tinh the la nhung nguyen tit trung
hoa lien keet vdi nhau bAng nhfing lien keet Ong hod tri theo nhfing ph ling xac
dinh. Vi du dik hinh cho loai tinh the nay la kim cuong (Hinh 5.11).

a b
Hinh 5.11. a - O mang co sa cOa tinh the' kim cu'ong (mini ten chi cac lien
ket giEta cac nguyen tit trong hinh tit dien deu)
b - Cac tit dien sap xep trong tinh the kim cuting

Do nang luting cUa lien kdt Ong hoa tri dinh hu6ng rat lon, tinh thd
nguyen tit kik mang lUoi kim cuong c6 dO ran chAc dac biet lon; nhidt do ming
chay rat cao; khong hoa tan trong nuoc; khong dan dien.
ThuOc loai tinh the nguyen tit didn hinh nay chi c6 han chd mot s6 a kim
nhu C, Si, S,... va cac hop chat SiC, ZnS, HgS, CdS, ZnO, BN, GaAs...
* Tinh the kim loai:
Tidu phan trong mang tinh the kim loai la cac nguyen tit, ion diking
hinh eau cila ding mot nguyen to chidm gilt cac didm nut va cac electron hoa
tri chuydn dOng tit do nhu dam khi trong toan mang ht6i.

200
 Nhang hat nhan nguyen tit kim loai nam d cac diem nut cila mang ltioi
each deu nhau, Wang ling vol khoang each ma cac nguyen tit thioc xem la c6
the tiep xiic nhau. Cach sap x6p nay dat dtioc do d'Ac khit nhgt ling voi he tinh
the luc pinking va lap piniong c6 s6 pheii tri 12 (chi6m 74% khong gian) va 8
(Hinh 5.12).

a b
Hinh 5.12. Mang tinh the kim loai
a - He luc phu'ong dac khit nhgt (s6 ph6i tri 12)
b - He lap phu'ong dac khit nhgt (s6 ph6i tri 12 hoac 8)
Dam khi electron tit do trong mang Midi gift vai tro tao ra mot loai lien
ket dAc biet goi la lien ket kim loai khong dinh htiong. Nha d6, nhang tinh
chat dAc biet cua kim loai, nhii kha nang bi6n dang, dan h6i to-t; de dan nhiet,
dan dien; kha nang phan xa anh sang; tinh thioc giai thich kha der dang.
Tuy nhien, ma hinh lien ket do dam khi electron tv do khong giai thich
dtiOc nhieu tinh chgt cua kim loai ye mat dinh liidng. Nha van dung cc; hoc
Wong tit, ngtiai to da 1ST giai thanh tong ban chgt dia lien ket kim loai, tit d6
giai thich thoa dang cac tinh chgt khac, dAc biet la tinh chgt dien cfla kim loai.
Pinking phap MO van dung cho cac he tinh the goi la 1ST thuyet vinag
nang Wong.
Tinh the &toe xem nhii mot he nhieu nhan. Cac electron trong than he
giting nhii trong phan tit (nl-ning day la phan tit khOng 16). Pinking phap MO-
a
LCAO xem cac electron cac mile bao hoa 16p trong khong tham gia hod tri
van thuOc trliang hat nhan rieng caa mot nguyen di. Chi nhang electron hoa
tri trong truing chung cua tinh the dace mo to bang cac orbital phan tit
(MO). MO la to hop caa cac AO. 2AO to hop thanh 2M0 g6m 1 MO lien ket va
1 MO phan lien ket iing voi 2 mitt nang Wong khac nhau (Hinh 5.13). Ngay
voi 2AO ban ddu c6 nang hiong nlui nhau (vi du, mile 2s cila 2 nguyen tit kim
loai cua cling 1 nguyen to) thi 2M0 tao thanh van c6 nang Wong khac nhau.
BAng cach suy luan Wong tit, n6u c6 N AO giong nhau to hop lai se cho N MO
c6 N mac nang ltiong each nhau. Trong mot tinh the kim loai chfia mot s6 rat
16n nguyen tit (vi du, lcm3 c6 tit 1022 den 1023 nguyen di) nen N mitt nang
Wong d6 sap x6p rat sit nhau, hieu s6 gala cac mite chi khoang 1022 eV, do d6
c6 the coi cac mitt la lien tuc va tao ra mot \ang nang liidng (Hinh 5.14).

201
 MO phan lien k&

2 AO

MO lien ke't

Hinh 5.13. Sy hinh thanh MO tit AO

E
MO phan lien ke't

N AO

MO lien ke't

Hinh 5.14. Su' hinh thanh viing nang litong tit N AO

Do to hop cac orbital s, ta c6 yang nang Wong s. Thong tt,.t nhU vay ta co
\rang nang Wong p, d, f. Neu N là so nguyen tit trong tinh the thi v-ang nang
luting s c6 toi da 2N electron; yang p c6 6N, yang d c6 10N yd. \Tang f c6 14N
electron. Giong nhti trong phan tit hoc nguyen tit, moi MO chi chila toi da 2
electron va bo tri \Tao MO c6 nang Wong thap trU6c, sau do moi den MO c6
nang Wong cao hon.
Cac yang nay c6 the xen phu nhau ho4c tach rai nhau. Wing nang Wong
tao bai cac AO cila electron hod tri goi la vting hod tri. Viing c6 nang Wong cao
hdn viing hod tri goi là viing dan (ho4c \Tang trong). Wing hod tri va vang dan
c6 the tach rai nhau bai mot yang cam.
Ngli \rung hod. tri va \rang dan xen phu nhau thi d6 la nhfing chat clan
Bien (dien hinh la cac kim loai).
Ngu \Tung cam hep, tif 0,1 dgn 3 eV, d6 la chat ban clan.
Ngu yang cam lon lion 3 eV, do la chat dien moi hay chat cach dien
(Hinh 5.15).
E

Viing dan

Wing cam

Wing hoa tri

Chat clan dien Chat ban dan Chat cach dien

Hinh 5.15. Sy phan b6 cac vimg nang ktong

202
 Co th6 coi \Tung nang Wong chila nhung electron dung chung, nhcing MO
khong dinh x11 trong toan tinh the (Wong ti cac electron it trong phan tit benzen).
* Vi du 5-11. Cac nguyen to nhom IA (Li, Na, K...) chi c6 duy nhgt mot
electron hod tri d mitt ns. Trong tinh the, cac AO nay tao ra \Tung hod tri s mOi
chi chfia mot nfia so electron cho phep (nguyen lY Pauli), nghia la chi c6 mot
niia s6 muc nang lvong trong \Tung dttoc 16p clAy electron, nua so mac nang
lvong con 14i la tit do. Khi dat trong dien trvong, cac electron chuyen Ong
theo htiong cua trvong qua cac mitc nang lvong to do. VI vay, cac kim loai IA
dAn dien tot.
Cac nguyen to nh6m IIA (Be, Mg, Ca...) c6 cac AO ns2 bao hoa tao ra
\Tung hod tri s dttoc 1613 ddy electron, nhung cac mitt np to ra viing dan chtia
c6 electron, xen phu vao yang hoa. tri (c6 sit xen phi vi mitt ns va np cua ding
mot nguyen to khong khac nhau nhieu v'd nang Wong). Dvoi tac dOng cua dien
trvang, electron di chuyen de dang qua \rang din. Vay, cac kim loci IIA dan
dien telt (Hinh 5.16).

N AO

Wing xen phu

N AO

a b
Hinh 5.16. Stixen phi] giCra cac yang nang lu'Ong
a - CI cac nguyen t6 nhOm IA
b - cac nguyen to nhorn IIA
Nhti vay, cac kim loai muOn dan dien tot can co \rung hoa tri chtia bao
hoa, hoac c6 sit xen phu gifia yang hod tri va yang dan.
* VI du 5-12. Neu cac orbital lai spa trong kim curing to hop voi nhau se
tao ra mot vUng hod tri co nang Wong th6 dVOc 14 day electron va mot \Tung
dan. Hai \rung nay cach nhau bed mot yang cam c6 khoang cachs nang lvong
5,7 eV. Viec van chuyen electron tit vUng hoa tri sang yang dan can mixt nang
Wong 18n. VI vay, d nhang dieu kien thong thithng, kim cueing khong dan dien
(Hinh 5.17). Mail tri thanh chat dAn dien, kim Wong hoc cac chat dien raj
not chung can phai c6 nhang nang Wong kith &Ong manh (nhiet dO rat cao,
dien trvang clic manh...) de chuyen electron vvot qua \Tung cam.

203
 AO 2p Vung MO sp3 phan lien kel
(vimg dan)

AE = 5,7 eV Vang cam

AO 2s „. Wing MO sp3 lien ket

bao hoa electron
(\rang hod tri)

Hinh 5.17. Cac vung nang lu'ong trong kim outing

Chu ST rang, ding la nhfing nguyen tit carbon, nhitng do cau true tinh the
khac nhau ma kim atong va than chi (graphit) c6 tinh chat rat khac nhau.
Gala cac lop than chi la he thong electron 7E khong ctinh xiI (xem chitong eau
tao phan tit) nen than chi la chat dan dien, va dO dan dien theo pinking cila
ldp lon gap 105 lan so voi dO clan dien theo phitong thang goc voi cac lop. Ngoai
ra, than chi lam, de tach lop vi gicta cac lop là litc lien ket Van der Waals c6
nang Wong nhO. Vi vay, c6 the xem tinh the than chi la trung gian gifia tinh
the nguyen tit, tinh the kim loai va tinh the phan tit.
* VI du 5-13. Thin chat dia cac nguyen to nita kim loai nhit Si, Ge, As, Se,
Te... ding c6 mang tinh the gi6ng nhit kim dicing, chi khac la yang cam
hep hon (AE < 3 eV), nen chi can mot nang Wong kith d'eng khong lOn da c6 the
di chuyen electron tit viing hod tri sang yang dan. Vi the, cac dOn chat ke tren
la chat ban dan. Viing cam hep lai con do cac nguyen to nay di cac orbital d
trong (ma carbon khong c6) c6 mitt nang Wong gdn voi mitt s va p. Wing nang
Wong do orbital d tao thanh nd rOng, lam cho -yang dan chi each viing hod tri
mot khoang nhO (vi du, AE = 1,12 eV del voi Si).
* VI du 5-14. LST thuyet yang nang Wong con giai thich nhieu tinh chat
khac cua kim loai,
+ DO dan dien dia kim loaf giam khi nhiet dO tang, vi cac ion diking nam
diem nut cua mang dao ctong manh ding voi tang nhiet dO da va
cham, can trot cac electron di chuyen qua viing dan. O nhiet dO gdn
0°K, kim loai c6 tinh sieu dan vi khong con dien tra.
+ Tinh dan nhiet cua kim loai la do electron mang nang Wong tit ch6
n6ng sang ch6 nguOi dia tinh the. Gang nhtt tinh dan dien, tinh dan
nhiet &toe .quyet dinh bai stt chuyen Ong tai do ciia electron trong
\Tung dan. Vay, kim loai nao dan dien t6t thi cling dan nhiet t6t (nInt
Ag, Cu...)

204
 + Khdc vdf kim loaf, chat ban clan c6 dO dan dien tang len khi nhiet dO
tang vi c6 nhieu electron diloc kich &Ong chuyen qua yang dan.
+ S6 electron gay ra nguyen nhan tinh cran dien, dan nhiet dia kim loai
chi chiem mot phan trong tong s6 electron dia \rang hod tri. ChUng
nam tren cdc MO c6 nang Ming cao cua yang nay, sat voi yang dan
phia tren, goi la cdc electron dan. Nhung electron con lai nam tren cdc
MO mile nang Wong thap phia dtioi vung hod tri, dtioc coi gdn dung la
electron lien ket cong hod tri. Doi voi kim loaf IA, IIA, s6 electron dan
Wong diking vdi s6 electron trong \Tung hod tri. Ngtioc 14i, nhung kim
loci chuyen tiep, ngoai s6 electron dan giong nhu kim loaf IA, IIa,
cluing con cdc electron lien ket cong hod tri do orbital d dung g6p. Vi c6
nhieu lien ket cong hod tri, nen cdc kim lc* chuyen tiep c6 nhiet de
nong chay, nhiet dO soi, dO cling va tST kho'i 16in hon kim loci IA, IIA va
cdc kim loci thuOc cdc phan nhom nguyen to A kha.c. Vi du, Cr, Mo, W
c6 nhiet dO nong chay rat cao, vi c6 s6 electron dOc than nhieu nhat
mile d5 &mg g6p vai tro la electron lien ket cong hoa tri. Nhiet dO soi
cao, dO cling va tST kho'i 16n cila chUng ciing duoc giai thich bai ding
nguyen nhan da neu.
(Khi xet bien thien cdc tinh chat con can xet them yeti to ban kinh
nguyen tit cua cdc nguyen to .
* Tinh the 16ng:
Tinh the 16ng la mot trang thai dac biet cUa chat, nam trung gian gifia
trang thdi 16ng va tinh the. Trang thdi tinh the long da dtioc Reinitzer quan
sat nam 1888 khi dun nong cholesteryl benzoat. 145°C, chat nay tit ran
chuyen sang mot the long dac sdnh, due va van gal cdu true tinh the. Chi CI
179°C no mOi chuyen han thanh chat 16ng thong thtiang trong su6t.
Tinh the 16'ng c6 nhiing dac tinh rieng. N6 c6 dO linh dOng cao, tao nhitng
giot dai (chat 16ng thong thuang tao giot hinh cau). Cau truc cila no khong c6
tinh trat tu xa nhu tinh the ran, nhung cung khong phai la trat tit gdn (10 -
20A°) nhu chat 16ng. Tinh the 16ng gom cdc cum hang trieu phan tit dtioc dinh
hu6ng song song ho4c gdn nhu the. Cdc cum 14f c6 dinh hilang Wong doi va thay
doi theo thoi gian, dOng thai thuong xuyen c6 sti trao doi phan tit gicia cdc cum,
hoac gifia cum v6f khu xung quanh. Tinh di htiong dia trang thai tinh the
Fang dia mot chat chi ton tai trong mot khoang nhiet dO xdc dinh va se mat di CI
mot nhiet do nhat dinh giong nhii nhiet do nong chay. Tai nhiet do "nong chay"
nay, tinh thelOng chuyen hoan toan thanh chat 16ng thong thtiong.
Lien ket trong tinh the 16ng la luc dinh twang hoac hic cam itng trong
thanh phan luc Van der Waals gicia nhang phan tit hiTiu co mach dai c6 san
momen Wang cue hoac Wang clic do cam ling. VI lien ket yeu nen trang that
tinh the liing de" thay d6i ca.0 trUc clued tdc dOng cua dien trtiang, tit tritang,
anh sang, ap suat va nhiet dO. Hien nay, hang ngan chat da ditoc phdt hien
hoac the tao d trang thdi tinh the 16ng. ChUng dtioc chia thanh 3 loai tuS7 theo
cach sail) x6p cac phan tit trong pha tinh th6).

205
 • Loai pha nematic (dang sdi) chita cac phan tit dinh hiking song song
theo true dai caa phan tit trong khi phan tit c6 the di chuyen tinh
tidn theo 3 truc cua toa dO (tam hinh dung pha nay nhu mot hOp dai
chita day cac but chi c6 the di cling trong do. Chiec but chi khong the
nam ngang nhung c6 the la-n qua gifts. cac lOp). Su dinh hiking pha
nhii d hinh 5.18a.
• Loai pha smectic (dang ma hoac xa phong) chita cac phan tit c6 truc
song song vii nhau tao thanh lop ming co bd day ca chidu dai phan
tit. Phan tit chi c6 the di ding trong khong gian 2 chidu - trong lop
(hinh dung n1-ill chiec hOp dung c6 chidu dai bang chidu dai cua
nhiing chide but chi dung day thanh mot lOp trong d6). Sit dinh hiking
pha nhu hinh 5.18b.
• Pha cholestric (ten goi xuat phat tit ten tinh the fang ditoc phat hien
dau tien la este cila cholesterin) chita cac phan tit khong c6 dinh
hiking chung trong toan tinh the, ma chi dinh hitting trong mot lop.
Truc dinh huong cua lOp nay so vii 16ip khac lech nhau theo chidu
xoay tron tic (hinh dung pha nay nhu cai xoay de ma nut chai bang
ban). Hinh 5.18c cho bidt sit dinh 'Wong cua pha cholestric.

b
Hinh 5.18. a. Pha tinh thd long nematic
b. Pha tinh thd long smectic
c. Si! quay 180° coa cac ph5n tit trong pha tinh the long cholestric
Tinh the Fong ton tai 016 bidn trong ti nhien, dac biet la trong cac he th6ng
sinh hoc. Ngay nay, vide nghien citu trang thai tinh the long c6 tam quan trong
lin dot vii sit den bO cua ky thuat, cua sinh vat hoc va Y - Dtfdc hoc.
Ca 3 clang tinh the fang neu tren ddu c6 trong c'au truc cac to bao sinh
vat (mang to bao, the micell, chgt nguyen sinh). Cac dang lipoid c'au tao he
than kinh, mo nao, thanh mach mau ton tai c3 trang thai tinh the long. Nhi:du
cd the hoat cling cua to bao, sit truydn xung than kinh c6 lien quan den sit
bier' doi c'au tao cua trang thai tinh the long trong to bao. R6i loan cac cgu
true nay thitang dan den nhung rot loan chile phan cua cd the. Su hinh thanh
tinh the long cila lipid d lop ditOi thanh mach mau dan den nhung dam vita xd.

206
Met tY' le hop thiic giiia cholesterol, muoei ciia acid mat va nvoc se hinh thanh
sOi mat pha smectic cua tinh the lOng.
Trong ky" thuat, tinh the Fong dttoc ling dung lam cac thik bi quang dien,
nhiet k6, may quang pho, &Ong ho dien tit, may vi tinh, man anh phang cua
may vo tuyeen truye'n hinh...

3. PHAN CUC ION

3.1. Dai tiling
Khi nghien cliu lien kk hod hoc, call tao phan tii, cau tao tinh the ta da
khao sat Wong tac gii-ia cac ion, cac piing civic. Tuy nhien chtia nghien citu sau
ski bien d6i nei tai cua cac ion dudi , tac dung cila dien
trtiong cac ion lan can. Si bieen d6i do anh InfOing rat
quan trong den nhieu U./1h chat claa cac hip chat. Cling
giong nlati phan tii, ion có the cos san Wong chic # 0)
rant OH-, HS-, C10-, CN-, hoac khong có Wang •
clic (p. = 0) nhu: Br-, S2-, NH4+, C032-, NO3-, S042-,
C104-, Mn04-, [Fe(CM6]4 , [Cu(NH3)4]2+..•
Met ion dat trong dien trtiOng se bieen clang do ski
chuyen dich Wong doei cua cac dam may electron va hat Hinh 5.19. Sy bign
nhan cua nguyen tii theo cac htiong ngdoc nhau (Hinh clang (phan cut) ion
5.19, doing cham la ski bieen dang vO electron trong dien trong dign tu'ong
truing, chiit yeu la vO electron cUa lop ngoai).
Nhu vay, khi dat trong di."0 truing, ion khong có Wang cue san (pt = 0) se
hinh thanh lticing civic, ion cif) san Wang cue roi thi luting clic lon them. Si xuat
hien liking cu'c trong ion do tele dung cilia dien tru'eing goi let hien tu'o'ng phan
cu'c ion. Moi ion là mot phan tii mang dien tich nen no la ngu6n dien truCing.
Khi cac ion mang then tich trai dau Wong tac vii nhau (trong phan tii, tinh
the) thi se phan clic ran nhau. Gia thik có phan tii A-B+. Neu ion B+ lam phan
clic ion A- thi ta goi la ion gay phAn clic, A- la ion bi phan a/c. atioi day la
nhang qui tac cua Fajans de xet ion gay phan clic (B+) va ion bi phan ale (A-).
* Ion gay phan chic cang manh khi:
+ Dien tich q cila ion cang
+ Ban lamb r cila ion cang nhO.
+ VO electron lop ngoai cila ion cang khac 8 (ion có 18 electron lop ngoai
gay phan clic manh nh6t, ion có c6.11 hinh gi6ng khi tro (8 electron lop
ngoai) gay phan clic yeu nh6t).
VI cuing de dien truing E = 1 1 q I (vii so = 8,86.10-12 N-1C2m-2 la
4.7r.z 0 .6 r2
hang so dien, E la hang s6 dien moi) nen ion có q lin va r nhO se tao ra Wang de
dien tracing manh, gay phan cuc manh doei vii cac ion khac den gdn no.

207
 Ion tich dien &tong Won c6 kich tint& nh6. (r nhe) hdn nguyen tit sinh ra
no (VI du 5-15). Mat khac, dien tich &tong dti cua no can tra si bie'n clang cac
dam may electron ben ngohi no. Vi vay, cation chic ye-a let gay phan ctec (no bi
phan chic rat kern).
* VI du 5-15. V'e ban kinh nguyen tit (r0) va ban kinh ion (riot) cita nguyen
to nhom I A vA. II A (tinh bang nm):
* Ion bi phan cvc cang manh (d0 phan citc cang lon) khi:
+ Ban kinh r cila ion cang ldn (lop electron ngoai xa hat nhan nen lien
ket long leo se de bi bie-ri clang, tile de bi phan
Nhom I A Nhom II A
ro r.I on + ro r
ion-̀+

Li ... 0,155 Li+ ... 0,068 Be ... 0,113 Be' ... 0,034
Na ... 0,189 Na+ ... 0,098 Mg ... 0,160 Mg' ... 0,074
K ... 0,236 K+ ... 0,133 Ca ... 0,197 Ca' ... 0,104
Rb ... 0,246 Rb+ ... 0,149 Sr ... 0,215 Sr' ... 0,120
Cs ... 0,268 Cs+ ... 0,190 Ba ... 0,221 Ba' ... 0,138
+ VO electron lop ngoai cila ion cang khac 8 (bi phan It là cac ion co
cfti hinh electron cita khi trd, bi phan cttc manh hdn la ion co orbital d
chAta du electron, bi phan cvc manh nhgt là ion da xe-p du electron vAo
orbital d ma thilang IA cac ion co 18 electron lop ngoai).
+ Ion cang thin gian (vi ion phfic tap chita nhi'eu lien ket, kho bien clang).
VI du, ion Cl-, Br-, I-, S2- de bi phan cite hdn S042-, P043-, C104-,
Mn04-... Ion tich di- e n am luon Won c6 kich tint& lon hdn cac nguyen
tii trung hoa (VI du 5-16). Mat khac, then tich am dtt cram den tac dung
clay cila electron lAm yeti lien ket caa chung voi hat nhan nen cang de
bi phan cuc. Vi vay, anion chez yeit la bi phan cu'c (tac dung gay phan
citc cila anion rat yeti vi anion thu6ng co dien tich be, ban kinh lon va
8 electron lop ngoai ding).
* Vi du 5-16. Ban MI-1h ion am Won lon hdn ban kinh nguyen tit trung
hoa (drill bang nm).
Nhom VI A Nhom VII A
rc, r ro r.Ion -

O ... 0,066 02- ... 0,136 F ... 0,064 F- ... 0,133

S ... 0,104 S2- ... 0,182 Cl ... 0,099 C1 ... 0,181
Se ... 0,117 Se' ... 0,193 Br ... 0,114 Br- ... 0,196
Te ... 0,137 Te' ... 0,211 I ... 0,133 I- ... 0,220

208
 Bai nhang nguyen nhan da phan tich d tren nen thong thuang khi cation
va anion Wong tdc vdi nhau thi cation có tac dung gay phan cuc len anion, con
anion bi phan clic.
3.2. Anh htiang caa phan cifc ion dgn tinh chat cac hqp chat
3.2.1. Phiin clic ion dnh hu'ang din tinh chat clia lien het
Phan cuc ion tang lon, lien ke-t trong phan tit tang nhieu tinh dang hod
tri, it tinh ion, va nguoc lai.
Hai ion khi lien ket vdi nhau tab thanh lien ket ion. NhUng do phan clic
ion, may electron cUa anion bi bie'n dang, dich chuyen mot phan ve phia cation
(Hinh 5.20). Mut vay, cap electron trUdc loch h'a'n ve phia anion, do phan a/c
ion lai bi keo v6 cation lam cho lien ket mang mot phan tinh clang hod tri. Neu
cation gay phan cuc manh, anion de bi phan cuc, nghia la phan cue ion trong
phan tit lon thi lien lift tang it tinh ion, nhiOu tinh d6ng hod tri.
Hinh 5.20. Sy chuygn dich dam may
electron cilia anion do tac dung cila ph5n
ccrc ion (du'Ong chgm la dam may
electron bi bign dang)

Phan cue ion dua den hO qua la trong cdc hop chat khong ton tai lien ket
ion thuan tuY, nghia la khong xay ra sti chuyen hoan town electron tit nguyen
tit nay den nguyen tit khdc. Ngay trong tinh the NaC1, din tich am hiOu dung
cua clor chi la -0,94 diOn tich electron, con cua natri la +0,94; hoac có the not
lien ket Na-Cl mang 94% tinh chat ion, con 6% la tinh chat dOng hod tri.
Chi" Y rang, de thuan tiOn cho can bang cdc phan Ung oxy hod klaii nguai
ta coi cdc s6 oxy hod &Ring hoac am cua cdc nguyen to la su cho di hoac nhan
vao tron yen mot s6 nguyen electron, mac du cdc electron trong lien ket chi
loch mot phan ve phia nguyen to có dO am din lon.
* Vi du 5-17. Ho hop chat hydrohalogenid HF, HC1, HBr, HI can phai
duoc du dodn la ti lO tinh chat ion trong lien ket giam dan, ti 10 tinh chat d6ng
hod tri tang dan, vi ion gay phan clic nhu nhau (11+), con ion am bi phan a/c có
ban kinh tang dan tit F d'gn I- nen phan cuc ion trong phan tit tang dan tit
HF d6n HI. Dung yeti du dodn, nguoi ta da xdc di/1h duoc ti lO phan tram tinh
chat ion trong lien ket ciia day chat sau:
HF HC1 HBr HI
% tinh chat ion 42% 17% 11% 5%
% tinh chat dOng hod tri 58% 83% 89% 95%
Nhu vay, lien ket trong HI có tinh ctang hod tri (95%) gan vdi cdc hOp
chart hau co.

209
 * VI. du 5-18. Bari clorid BaC12 la chat dien ly manh trong dung dich
thiic to no phan ly hohn toan thanh ion, trong khi do thug ngan (II) clorid
HgC12 hdu rant khong dien ly ra cac ion thanh phd.n. Dieu nay dtioc giai thfch
theo qui luat phan clic ion nhv sau: khong xet ion bi phan chic (Cr) vi nhti
nhau d ca hai hop chat. Cac ion gay phan cvc (Ba', Hg') dgu c6 dien tich 2+,
nhvng khac nhau ban kinh ion va cau tao lop vO electron ngoai. Ion He c6
ban kInh nhO (0,112 nm) va lop vO electron ngoai bang 18 gay phan cVc manh
hdn ion Ba' c6 ban kInh 16n (0,138 nm) va lop vO electron ngoai bang 8 gigng
khi tro. Nhv vay, phan cvc ion trong phan tii HgC12 lon hdn, nen lien kgt
Hg-Cl nhigu tinh dtIng hod tri se kho dien ly ra cac ion, con Ba-Cl mang
nhigu tinh ion nen de clang dien ly trong dung dich ntidc.
* Vi du 5-19. Do phan clic ion ma tinh chat cua lien kgt trong mot day
hop chat co thg chuygn ti lien kgt ion thanh lien kgt kim loai, nlia a cac hop
chat sau:
CuSO4 CuO CuS CuSe CuTe
Ion gay phan cVc nInt nhau, dgu la Cu'. Trong day cac anion bi phan cVc
thi anion phlic tap S042- bi phan cvc nhO nhgt, sau do dgn ion 02-, 52-, Se2- va
Tee- bi phan c4c manh d'an (vi ban kInh tang ddn). VI vay, trong CuSO.4 la lien
kgt ion dign hinh (do phan chic ion ygu), con CuTe c6 lien kgt kim loai dien
hinh (do phan chic ion rat manh lam cho cac electron gdn nhv phu thuOc deu
nhau doi voi hai hat nhan, nhvng lai lien kgt 'Ong leo veil hat nhan, chuygn
thanh may electron till do nhv trong kim loai).

3.2.2. Phan cue ion einh hu'ang den au trete tinh the'
Phan clic ion lon lam thay d6i kign true tinh the theo htiong giam s6 ph6i
tV (s6 ion ngvoc dau bao quanh m6i ion) va cac ion gdn nhau hon.
Gia thigt c6 3 trvang hop xay ra theo cac mo hinh I, II, III (Hinh 5.21).

0
0
0 0 0
0
0 0
I II III
Hinh 5.21. Anh hu'ang cos phan cut ion dgn s6 ph6i tri
va khong cach cac ion trong tinh thd
• Trtiang hop I: cac ion diking bao quanh ion am trong tinh the thing
nguyen tai cho thi tac dung se biz frit ran nhau nen khong gay dlicic
mot Wang cVc don vOi ion am dVng

210
 • Trtiang hdp II: s4 that, cac ion luon luon dao dOng quanh mot vi tri
can bang, nen tai mot thai diem nao do tac dung bla trif tam thai
khong con, ion am xuat hien mot Wang elle. Neu tac dung gay phan
ctic cUa, cac ion doting ye'u, Kiang eve phat sinh nhO va tam thai,
tinh the lai tri ve trang thai can bang nbit trtfang hdp I.
• Tri_fang hop III: ne-u tac dung gay phan cvc cila ion &tong manh,
luting qic ion am se lon, h.tc but gitia cac ion thioc tang Wang, chUng
lai g6.n nhau hdn va s6 ph6i tri nhO hdn (ion &tong /lam d phla ddu
dating cila Wang cttc bi day di xa vo tan), trat tit moi cua tinh the
dtfoc thiet lap. •
MO hinh gia Binh tren day phu hop vOi thip to cila cau tao chat.
* VI du 5-20. Day mu6i bac halogenid c6 cac thong sec:
Ten top chat AgC1 AgBr AgI
Tang ban kid-1h 2 ion (A°) 2,95 3,09 3,34
Khoang each giffa 2 hat nhan (A°) 2,76 2,85 2,80
DO giam khoang each gifia'2 hat nhan (A°) 0,19 0,24 0,54
do xen phi cac may electron
Kik mang loci tinh the NaC1 NaBr ZnS
S6 phoi tri 6 6 4
Qua bang tren, ro rang a AgI, do c6 hien Wong phan qic ion manh nhat
(vi I c6 ban kinh lon nhat nen de bi phan cvc) ma cac ion lai gA.n nhau nhi6u
hdn (0,54 A°) va tinh the co so ph6i tri nhO hdn (4).
*Vi du 5-21. O hai hop chat ZnO va MgO, cac cation va anion c6 ban kinh
On bang nhau, ion bi phan ctic nhit nhau (021, dien tich cac ion gay phan
(Zn va. Mg) bang nhau (2+), nhung ion Zn2+ có 18 electron d 16p ngoai ding nen
tac dung gay phan cvc lon hdn ion Mg2+ c6 8 electron 16p ngoai clang. Theo do,
phan c-qc ion trong ZnO manh hdn nen no ket tinh theo kieu mang h.toi ZnS c6 s6
phoi tri 4, nhO hdn so vOi MgO ke't tinh theo kik mang 103i NaC1 co so phoi tri 6.
* Vi du 5-22. 6 nhiet do thap, cac ion dao &Ong be, Wing eve phat sinh
ion bi phan ct.fc (ion am) nhO, cac ion &tong lan can khong bi but manh, nen
thong lai tra ve trang thai can bang ban da'u, kien true cua tinh the khong bi
bie'n doi (truang hdp II, Hinh 5.21).
6 nhiet do cao, dao dOng cua cac ion lon, Wong elle a ion bi phan ciic (ion
am) c6 gia tri dang ke, no but manh mot s6 ion dating lan can, do do lam Eden
de:4 kien trdc tinh the theo hitting giam s6phol tri.
Chinh vi vay ma cesi clorid CsC1 d nhiet do thltang ke't tinh theo kik
mang Midi lap phiidng tam khooi c6 s6 ph6i till bang 8, nhung d 445°C lai ke't
tinh theo kieu NaC1 co s6 ph6i tri bang 6.

211
3.2.3. Phan clic ion anh iniang dgn nhigt do nong chay cua hcip chgt
Phan ale ion trong mot hOp chat ma lon thi nhiOt do ming chay cua hOp
chat d6 se thap, va nguoc
1\18i chat c6 mot nhi6t di) ming chay rieng. Tai nhi'et dO nay, dao dOng cUa
cac tik phan (ion hoac phan tit) trong tinh the da du lon de pha trat t4
trong tinh the va chuyk sang trang thai sap x6p hem On nhu trong trang
thai 16ng. D6 la hi6n tuong 'long chay cua tinh th6.
• N6u gifia cac tieu phan c6 lute lien ket chat the thi tinh the nong chay C's
nhi6t dO cao. Nguoc lai, ne-u cac ti6u phan lien ket 16ng leo vdi nhau thi tinh
the tang de nong chay, tic la nhiet do; ming chay thap.
NInt cla bi6t, lien ket ion (dik hinh cho cac chat \To co) c6 nang biting lien
k6t iOn nen thuang viing bgn hdn lien ket Van der Waals cac chat hi u co).
Vi vay, cac chat c6 mang tinh the ion thuang c6 nhi6t do nong chay cao.
Mat khac lai bi6t, phan clic ion trong hop chat ma ldn se lam giam U./1h
ion, tang al-1h dung hod tri ciia lien ket. Do d6, c3 chat nao c6 phan cute ion
manh, nhi'et di) 'long chay cila chat d6 se thap. Ngtioc 14i, phan cilc ion nh6 thi
nhi6t do ming chay cila chat se cao.
* VI du 5-23. Giai thich bien thien nhi6t do nong chay ci mot s6 hOp chat
cu the.
Ion bi phan tuft giong nhau (Cr): cac ion gay phan a/c c6 ding din tich
(2+) nhung ban kinh tang clan (vi tit tren xuo-ng dtidi cua nh6m nguyen to
II A) nen tac dung gay phan cute ye-u clan, do do phan c-kic ion trong day
hop chat sau nhO dan, nhilet do ming chay lOn dan:
Hop chat BeC12 MgC12 CaC12 SrC12 BaC12
Nhi6t dO /long chay (°C) 440 715 785 873 965
Ion gay phan cute gio-ng nhau (Nat): cac ion bi phan cuc c6 ding diOn tich (1-)
nhung ban kinh ion tang dan tit F d6n I- nen phan clic ion tang dan trong
day hop chat clUoi day lam cho nhi6t do nong -chay cUa chUng giam din:
Hop chat NaF NaC1 NaBr NaI
NhiOt do ming chay (°C) 995 800 740 661
Kgt qua ttiOng tut cling cho bai day hop chat sau:
Hop chat HgF2 HgC12 HgBr2 HgI2
Nhi6t do nong chay (°C) 646 282 238 137
Ngay ii hai day chat vita xet tren, day thq. ngan (II) halogenid luon c6
nhi6t dO ming chay thap hdn e m6i chat ttfOng iing voi day natri
halogenid. Nguyen nhan la ion He (co diOn tich &tong lOn va lop
electron ngoai tong bAng 18) gay phan tuft manh hdn nhi6u so voi ion

212
 Na÷ (co dien tich &tong nhO va 8 electron 16p ngoai giong khI trd), &an
den phan eve ion lon hdn va nhiet do nong chay thap hon d cac hop chat
thug ngan (II) halogenid so voi cac hop chat natri halogenid.
Sti nong chay caa cac chat con phu thuQc vao mot s6 dieu kien khac (ap
suat, loai tinh the, lien ket phu...), do d6 con gap nhang ngoa.i le khi van dung
quy luat phan c4c ion de dpi kien nhiet dQ nong chay cua cac hop chat.

3.2.4. Phan cue ion cinh hu'ang den nhiet cho phan huj, czia chat
Phan ctic ion 16n, nhiet di) phan hug ci1a chat se nho, va ngtioc lai.
Khi dun ruing, cac hop chat c6 the bi phan hug thanh nhang chat khac.
Co chat ben yang diz dun nong den nhiet dQ rat cao, vi du K2SO4 d 1000°C van
cluta bi phan hug. C6 chat de bi phan hug nhiet do vai tram dQ, chang han
yang halogenid bi phan hug khi dun /long theo sd
AuX3 = AuX + X2 (X = F, Cl, Br)
hoac MgCO3 phan hug theo cach:
MgCO3 = MgO + CO2T
Lai c6 nhang chat kern ben yang den mite khong ton tai d digu kien
thliang, vI du CuI2, Al2(CO3)3, AuI3•••
Trong sti phan hug, c6 the the xay ra sit di chuyen electron tit anion sang
cation, lam cho cation giam dien tich (flint d vi du voi AuX3), hoac khong lam
bign d6i dien tich cation (nlyti ci vi du v6i. MgCO3).
Phan cue ion gay sti Ellen clang cac ion va hinh thanh cac hidng clic trong
nQt bQ phan tit chat, do do tvdrig dvdng voi nhiet phan hug "san c6" trong hop
chat. Vay phan ale ion lon "sv tti phan hug" da san lOn, nen nhiet ma chat can
hap thu them de phan hug se nhO, tilt la nhiet phan hug thap. Ngudc lai, neu
phan chic ion trong hop chat "sv nong san" It, nen Wong nhiet can cho
phan hug 16n, tilt la nhiet d0 phan hug chat d6 se cao.
* VI. du 5-24. Si.1 phan hug cua hOp chat Om 2 nguyen to: khi dun nong
hop chat, anion bi hien clang manh, tilt la bi phan a/c 16n. Den mot nhiet dQ
nao do, anion bi phan cite den mitt electron c6 the chuygn tit anion den cation,
ski phan hug cua chat xay ra. Neu hdp chat &toe tao b6i. anion de bi phan cute
va cation c6 tac dung gay phan manh, nghia là phan ale ion trong hop
chat 16n, thi sit phan hug de xay ra, hdp chat kern ben, nhiet d0 phan hug chat
d6 se thap. Chang han, CuC12 phan hug d 995°C, con CuI2 phan hug ngay
nhiet dQ thtiang (vi I- de bi phan clic hdn Cr, nen '6 CuI2 phan c-ktc ion lon, hdp
chat rat khong b6n va phan hug theo cach: 2CuI2 = Cu2I2 + 12). Hoac c3 day
hop chat:
HF HCl HBr HI
Nhiet di) phan hug giam clan

213
 VI tit F- den I-, anion de" bi phan cue ddn, phan cite ion lon ddn, hop chat
cang de bi phan huY ddn theo so do chung:
2HX = H2 ± X2
* VI du 5-25. Sit phan huY' dia hop chat g6m tit 3 nguyen teitra len:
— Trttang hop nhiet phan: 2KNO3 = 2KNO2 + 02
Ion K.' c6 dien tich be, ban lamb ldn va 8 electron lop ngoai nen tac dung
gay phan cite yeu. Ion N5+ dien tich 16n, ban hi-1h nh6, c6 tac dung gay phan
cite manh len 02-, den mite khi dun nong den nhiet do nhat dinh, 02- c6 the
chuyen electron cho N5+ va chat bi phan huY) theo phan itng tren.
— Trttang hop phan huST cUa hydroxyd ho4c muo-i claa no khong c6 sit
chuyen dich electron gifia cac nguyen to, chang hada theo so d'6
Me(OH)2 = MeO + H2O
MeCO3 = MeO + CO2T
(Me = kim loci hoa tri 2)
Stt phan huY' MeCO3 c6 the dtioc trinh bay theo mo hinh:

0,

MeO

A
O nhiet do thap, cac ion Me2+ va CO32- trong tinh the dao d6ng nhO, cac
ion 6 xa nhau (A).
6 nhiet cao hdn, cac ion lai gan nhau vi chung dao dOng manh, ion gay
phan ate Me' c6 the but may electron cJ mot ion 02- gdn nhat trong ion C032-
va lam mat Wang cite d ion 0' nay (B), ho4c lam d6i dau cua luring cite ci 02-
(C). Ke't qua la 1 oxy tach khi C032- tao ra CO2 va MeO, hop chat MeCO3 bi
phan huST (D). Nhiet dO phan huY) thap hay cao se phu thuec vao tac dung gay
phan cite ticing ho gifia Me' Ira C4+ (trong go'c acid) len ion 02-. Neu Me' c6
tac dung gay phan ale manh, nhiet do phan huY' se thap. Ngttoc lai, Me' c6
tac dung gay phan clkic yeu thi nhiet do phan huY' can phai cao de ion 02- bie'n
dang clu Lon va thoat khi tac dung gay phan cue cUa ion C4+.
Su phan huS7 cua Me(OH)2 cang dttoc giai thich theo mo hinh phan huY'
cua MeCO3 nhii tren. Tit dO, c6 the giai thich dtioc nhiet do phan huY) cUa 2
day hop chat sau:

214
 HO chat MgCO3 CaCO3 SrCO3 BaCO3
Nhi8t do phan huY (°C) 671 850 1200 1330
Hop chat Mg(OH)2 Ca(OH)2 Sr(OH)2 Ba(OH)2
Nhi8t dO phan huS7(°C) 160 580 779 898
6 2 ho hop chat neu tren, cac ion gay phan chic la Mg', Ca', Sr', Ba'
deu thuOc nhom nguyen to II A, lop electron ngoai giong nhau, nhttng ban
kinh ion tang clan (vi di tit tren xu6ng &t -1i cua mot phan nhom chi/1h cac
nguyen to. Do ban kinh ion 16n clan nen tac dung gay phan ctic giam dan tit
Mg2+ clan Ba', phan c4c ion trong cac phan tit vi the cang giam, clan dan
nhi8t dO phan huY' phai tang dan tit cac hop chat cila 1S4g2+ dan cac hop chat
cua Ba'.
* VI du 5-26. Vi ion H+ "trd trui" electron, ban MI-1h ion vo ding be (ban
kinh c-aa proton) nen de clang chui vao may electron cila ion 02- ma khOng bi
day, gay ra tac dung phan cvc manh. Do do, not chung cac acid c6 oxy kem ban
hon muoi caa cluing. Chang ham cac muoi carbonat phan huST d nhi8t do kha
cao (xem vf. du 5-25), nhting acid carbonic H2CO3 lai It vitng ban, vi ion Me'
gay phan okfc yau da duoc thay the bang 2 ion H+ c6 tac dung gay phan c4c rat
manh lam cho hop chat acid de bi phan huY'.
Cung Wong ttt, cac muoi ciia acid H2S03, HNO2, H2S203... la ban yang,
nIning ban than cac acid nay lai rat kern ban, clan do chung khong the ton tai
ttt do trong digu ki8n th-tiang.
Tuy nhien acid H2SO4, HNO3 kha ban, vi ion &tong ci trung tarn la
I\15+ c6 diOn tich lon, gay phan cLtc manh 18n ion 02-, lam cho ion El+ khong du
sifc gay dao phan cUc de dang d nguyen tit oxy (xem mo hinh cJ vi du 5-25).

3.2.5. Phan clic ion dnh hdong den do die'n ly ciict cac hop chat
Di8n ly la hien Wong, nhO Wong tac vdi cac phan tit dung moi phan citc,
chgt tan (Ride tach thanh cac ion trong dung dich. Lien kat trong phan tit cang
nhiau tinh ion thi chat tan cang de diOn ly. Trai lai, lien kat cang dOng hod tri
thi cang kho diOn ly clan khong the di8n ly Tinh ion, hoac tinh dOng hod
tri cua li8n kat lai phu thuOc vao phan cilc ion. VI the, dO diOn ly cua cac hop
chat c6 lien quan chat the clan phan clic ion.
* Sit di8n ly ci1a. hydroxyd:
Cac oxyd tac dung vdi rut& tao ra hydroxyd. Cong thifc hod hoc chung
oda hydroxyd la R(OH)n, trong do R la go'c c6 diOn tich &tong co th8 la cua kim
loai, a kim hoac mot go'c philc tap khac.
Sit di8n ly cua hydroxyd &toe aid hi8n ben mo hinh don gian:
R 0 H—H

II

215
 Dien ly theo kieu I là cac hydroxyd c6 tinh base. Dien ly theo kieu II la
cac hydroxyd c6 tinh acid. Neu hydroxyd dien ly theo ca 2 kieu I va II thi dO la
nhung chat luang tinh (chat Wong tinh dien hinh có kha nang dien ly theo ca
2 kieu nhu nhau; chat ludng tinh met phan thi dien ly manh hon a kieu nay
hoac o kieu kia).
Neu tac dung gay phan cue cua nhO hdn H+ thi lien ket R-0 nhieu
tinh ion va lien ket O-H nhieu tinh d6ng hoa tri, hydroxyd se dien ly theo
kieu I, do la nhung base.
Neu R® gay phan ct.ic manh hdn H+ thi lien ket R-0 nhieu tinh deng
hod tri va lien ket O-H nhieu tinh ion, hydroxyd se dien ly kieu II, do la
nhang acid.
Con ne-u tac dung gay phan cua R va H+ xap xi ngang nhau thi cac
lien ket R-0 va O-H c6 tinh ion hoac tinh deng hoa tri khong khac nhau
nhieu, hydroxyd se dien ly theo ca 2 kieu, do là nhang chat luang tinh.
* VI du 5-27. Theo chieu tUtren xue-ng duch trong met phan nhom chinh,
ban kinh (= Mg', Ca", Sr', Be+) tang dAn, tac dung gay phan clic
cUa yeu dan, do do lien ket R-0 tang ion hcin, nen:
Mg(OH)2 Ca(OH), Sr(OH)2 Ba(OH),
Tinh base tang
(dien ly theo kieu I math dan)
* VI du 5-28. Voi day hydroxyd cua clor:
HC1O HC1O, HC103 HC10,
Tinh acid manh dan
(di0 ly theo Id& II tang dan)
• 6 day, R® la Cl', C13+, C15+, CP+ c6 dien tich 16n dan nen gay phan cuic
manh dan, lien ket R-0 tang dan tinh deng boa tri, con lien k6t O-H tang clan
tinh ion, hydroxyd dien ly manh dan theo kieu II (khong ion nao gay phan cktc
manh hdn C17+ nen HC104 la acid manh nhat trong s6 cac acid da biet hien
nay). Cling voi ly do Wong tu, day hydroxyd ciia. Mangan c6 su bie-n thien tinh
acid va base theo trinh tu:
Mn(OH)2 Mn(OH), Mn(OH), H2MnO, HMnO,
Tinh acid tang
Nhtt vay, c6 the rut ra ket Juan chung: nes-it mot nguyen to co nhieu mac
oxy hod thi hydroxyd 6? mac oxy hod thdp se c6 tinh base, hydroxyd ei mac oxy
hod cao c6 tinh acid.
*Vi du 5-29. Hydroxyd cua cac nguyen to trong met chu kST, vi du chu kS7
III, dien ly manh dan theo kik acid:

216
 Si(OH)4 P(OH), S(OH)6 C1(0F1)7
1 -H20 [,-H2O J,-2H20 I-31 2O
NaOH Mg(OH)2 A1(OH), H2SiO, 1131304 H,SO, HC104
base base Wang acid acid acid acid
manh vita tinh ydu vita mph cut mph
Tinh acid tang
(dien ly mph clan theo kidu II)

o day, = Nat, Mg', Al', Si", P", Cl" c6 di6n tich tang clAn nen
gay phan cuc manh ddn, lam cho lien ke-t R-0 cang d6ng hod tri, lien ket O-H
cang nhi6u tinh ion, diOn ly theo ki6u II do do manh ddn, tinh acid ciia cac hop
chat tang cldn.
'* VI du 5-30. Ho hop chat:
HC103 HBrO3 HIO,
'Huh acid giam
6 day, = C15+, Br', I' c6 ban kinh ion tang ddn nen tac dung gay
phan cuc ye-u ddn, lien ke't R-0 tang ddn di-1h ion, lien ke't O-H nhieu clAn
tinh d6ng hod tri, do d6 cac hydroxyd c16 di6n ly dan theo ki6u base va kho
di6n ly theo ki6u acid.
* VI du 5-31.0 phan tit H2O go'c ciing chinh la 11±, vi vay sti dien ly
theo ki6u I va ki6u II hoan toan nhu nhau. Niidc la chat litang tinh din hinh.
* Si din ly cila acid khong c6 oxy:
Sit dien ly khong nhiing phu thu6c vao tinh chat cila lien ke/t (la ion hay
&Ong hod tri), ma con phu thu6c vac, kha nang bi phan ckic cua phan tit chat
tan ditch tac dung ciia cac phan tit dung moi c6 cuc.
*VI du 5-32.
HF HC1 HBr HI
Tinh acid tang
(trong dung m6i H2O)
Cac phan tit niidc quay clic &tong but ion am X- F-, Br-, I-). Ban
kinh X- tang dan tit F- den .1- nen bi phan cuc manh dan, Wang ckic mdi xuk
hi6n X- do phan ckic ion tang cung lon clan va dau deicing ciia Wang atc quay
vg phia Er, lam cho X- tach khOi cang de dang, tinh acid do do manh dan
len. Giai thich nay c6 the minh hoa bAng sd d6 sau:

11' H2O

217
 phan tit HF, do F.- co ban kinh nhO kho bi phan cilc, 14i It phan tit ntioc
barn vao (vi khong gian ion hep), nen Wong cuc do phan alc ion gun nhtt
khong phut sinh, ski then ly cua HF vi the rat ygu (mac du lien ke't HF có den
43% tinh ion).
Trong khi do a phan tit HI, do r có ban kinh lOn rat a bi phan lai có
nhieu phan tit nude có the barn vao, nen Wang ctic xuat hien loin, dau diking
cila Wang cue va H+ d6y nhau, sit then ly ciia HI vi the a clang, HI la acid
manh nhat trong ho hop chat da cho (mac du lien ke't H-I có den 95% tinh
d6ng hod tri).
- Ciing 1ST luan cho ho hop chat:
H2O H2S H2Se H2Te
thi nitric la acid ygu nhat va H2Te la acid manh nhat.
* Su dien ly cua muol:
Cac mu6i vo co 3 trang thai ran là tinh the ion. Noi chung, cluing là
nhang chat dien ly manh. Do phan cite ion ma dac U./1h ion cila lien ket trong
cac mu6i chuyen mot phan thanh dting hod tri. Van theo qui luat chung,
muoi nao phan cuc ion nhO, dac tinh ion do dO lon se de dien ly. Trai 14i, phan
ckic ion tang lam giam dac tinh ion cila lien 1(61 trong mu6i, thi mu6i do se kho
dien ly.
* VI du 5-33.
CdC1, CdBr, CdI,
DO dien ly giam
Vi cac ion am có ban kinh tang cldn tit Cl- den I- nen cluing de" bi phan
alc dan, lien kgt trong mu6i giam ct4c tinh ion, tang U./1h d6ng hod tri, nen su
dien ly yeti dan.
Hoac hop chat HgC12 có d6 then ly rat nhO, vi ion Hg2+ có 18 electron lop
ngoai nen co tdc dung gay phan cite manh da lam giam dac tinh ion cua lien
ke't trong phan tit mu6i. Tuy nhien, neir thay ion Cl- de" bi phan cue bang cac
anion kho bi phan cup (nlui F-, NO3, C104...) thi d6 dien ly cua mu6i thuST'
ngan lai tra nen binh thtiCing (vi phan cue ion giam, dac tinh ion ciia lien keit
14i tang).
3.2.6. Phan eve ion lan la nguyen nhan phut sinh metu sac o cac hop
chiit vo co
Mau sac cila hop chat lien quan den d6 linh dting dm electron trong phan tit
va den kha nang chuyen electron tit mite nang Wong thdp len //Ilk nang luring cao
hdn khi phan tit hap thu nhiing photon anh sang có nang Wong E = by.
Boric song cila anh sang trong thay num trong khoang 400-780nm, Wong
itng lan luot vdi mot so dui mau co ban tim-chum-lam-luc-vang-da cam-dO,
goi la yang quang ph6 nhin thay.

218
 Mat chat se c6 matt nett no hap thu chon loc mat s6 mau nao do trong
\Tung quang ph6 nhin thay, nhiing mau con 14i khong bi hap thu se xuyen qua,
phan xa va tan xa den mat ngoai quan sat, tao ra mau sac cila chat ay. Chang
ban, HgS hap thu manh cac mau tit tim den yang, d6 lai cac mau dO-da cam
killing hap thu, nen HgS c6 mau d6 da cam. Con CdS 14i hap thu manh cac dai
mau tit tim den luc va mat phan tit d'6 den da cam, de lai mau yang hau nhu
khong hap thu, nen to thay CdS cQ mau yang.
Do cau truc not tai cua phan tit ma cac chat c6 th6 hap thu mat hoac vai
mau trong anh sang nhin thay vdi tY le va cuing do khac nhau, do do to ra va
so cac mau sac trung gian so v6i dai mau cd ban.
Neu vat the de cho moi tia sang trong \Tung nhin thay di qua, vat th6 do
la trong suit, khong mau.
CO nhang vat th6 phan xa tra lai tat ca cac tia sang trong viing quang
pho nhin thay, vat the ay c6 mau trang (clang goi la khong mau).
Cac vat the trong suet, khong mau co th6 hap thu cac tia hang ngoai
hoac tit ngoai, nhu vay khach quan ma not thi cluing van "co mau", nhiing vi ci
ngoai yang anh sang trang thay nen mat nguoi khong nhan biet duoc.
Neu vat th6 hap thu moi tia sang trong yang quang ph6 trang thay
railing khong hohn toan thi vat the do có mau xam, con neu hap thu hoan toan
thi no có matt den.
Chiu trcich nhiem ve mew let electron. Mew sac phat sinh là do tu'dng tcic
ceza electron trong cac phan tee ceia chat vo'i ,cac luVng tic anh sang. Nhit vay,
trang thai electron trong phan la co sa giai thich sit xuat hien cim mau.
Do cac trang thai electron khac nhau ma co the phat sinh mau c1 cau tritc hau
cd va cau triic va cd c6 nhfing nguyen tac khong giong nhau.
Chat hau cd c6 mau can c6 3 dac di6m trong cau true phan tit:
• Gam nhfing mach day not doi lien hop.
• CO mat cac nhom hay cac nguyen tit hitt hoac de nhttang electron (cac
nhom trd mau).
• Cac nguyen tit trong phan tit can phai nam trong mat mat phang
hoac gAn vdi trang thai nay.
Nhiing dac di6m do tao thuan ldi d6 cac may electron cila cac nguyen tit
xen pho toi da, de di clang trong toan eau trot (khong dinh va gay duoc
hieu itng dich chuy6n electron lon nhat, nha do ma he electron ciia phan tit
hau cd de clang hap thu cac luong tit anh sang trang thay (co nang hiOng
khong ldn) d6chuy6n thanh trang thai kith thich, mau xuat hien.
Nhu vay, mau ceza cac hop chat bleu co' ctuVc quyet ctinh bdi trang thcii
electron ceta tap hop tam b0 cac nguyen tee trong phan tee.
Nguoc lai, dal vdi cac chat va co, sit xuat hien mau cho yeu chi lien quan
den mat loci nguyen tit hoac ion va tuong tac qua lai gitta thong. Cd so' xuat

219
hiQn va bie'n mau d cac cet-u trice vo cd let phan cu'c ion. Khi phan cvc ion
trong chat ma lOn, may electron a bie'n da.ng nen a hap thu photon anh sang
trong thay, chat se xuat hien mau, hoac mau se clam hon (nghia la chuyen vg
mau toi hon, do su hap thu anh sang cila chat chuye'n ve bueic song dai hdn).
Midi day chi ne-u cac vi du va anh huOng cua phan cvc ion dgn mau sac
cac hop chat vo cd (mau cua cac chat hitu cd dace trinh bay trong Hod hitu cd).
* Vi du 5-34. Anion cang de bi phan cite, hop chat cang de c6 mau, chang
han o cac day chat sau:
• AgF AgC1 AgBr AgI
Mau trAng Mau trang Vang nhat Vang dam
Mau dam dan vi ban kinh ion tang tit F- den 1-, anion d6 bi phan cvc
dan, phan cvc ion tang dan tit AgF den AgI.
• Fe(OH)2 FeO FeS
Trang Nau Den
Mau xuat hien va dam dan, vi cac anion theo trinh tit OH-, 02-, S'de bi
phan cvc dan, phan cvc ion lon dan tit Fe(OH)2 den FeS.
• MnCO3 MnSO4 MnO MnC12
Khong mau Khong mau Luc sdm Hang
Anion C032- va S042- kho bi phan cue, nen MnCO3 va MnSO4 khong mau.
Con anion 0' va Cl- de bi phan cvc, nen MnO va MnC12 c6 mau.
• Pb(NO3)2 khong mau, do NO3- kilo bi phan cvc. Nhung thay NO3 bang
I- de bi phan cvc thi PbI2 c6 mau yang dam.
* Vi du 5-35. Cation gay phan ctic manh, hop chat d6 xuat hien mau.
Chang hand cac truang hop sau:

• K20 CaO Sc203 • TiO2 V205 Cr03 Mn207

Khong Khong Khong Khong Vang DO thhm Den
mau mau mau mau
Tit K+ den Mn7+, ban kinh cac cation gan bang nhau (vi cac nguyen t6d6u
thuac chu kSt 4), nhung diOn tich lOn dan, do do tac dung gay phan cac
cation manh dan, phan cvc ion tang tit K20 den Mn207, cac hop chat cuoi day
xuat hien mau.
• Muo'i NaC1 va KI khong mau, vi cation Na+ va K+ (8 electron lop ngoai)
gay phan cvc ye-u, phan cip ion trong chat nh6. Neu thay Na+, K.' bang cation
gay phan cue manh nhu Co' (15 electron lop ngoai), Cu' (17 electron ldp
ngoai) thi cac muoi CoC12 khan va CuI2 lan Riot c6 mau xanh va nau thdm, do
phan cute ion trong CoC12 va CuI2 lon hon nhiau so voi NaCl va KI.

220
 Ion Au' do c6 dien tich lon (3+), lop vo ngoai 16 electron va ban kinh ion
nhO (0,85 A'), nen Au' gay phan cue rat manh len lidu het cac anion ma no
lien ke-t. DO là nguyen nhan ciia hien ttiong phan clic ion rat lon trong cac hOp
chat cila Au', den mite nhi6u hop chat cita no khong ton tai hoac de phan huY
ngay d di6u kien thuong (nhu AuI3, Au2Se3, Au2S3...), do do yang trong thien
nhien chu yen ton tai d clang kim loaf tu do. Cac hop chat dia. Au' On tai &toe
di6u kien thuang thi hdu nhu d6u có mau, nhu:
Au203 Au(OH)3 AuC13 H[AuC14] AuF3 H[Au(OH)C13]
Nau Nau do DO ngoc \Tang Vang D6 da cam
(de phan huST)
* Vi du 5-36. Mau cita cac chat lien quan den vi tri cua cac nguyen to
trong He thong tun hoan.
• Cac hop chat tao bOi cac nguyen to s, p thuOng khong c6 mau, vi d trong
hop chdt cluing có vo electron lop ngoai bang 2 hoac 8 giong khi trd, vita kh6 bi
phan ate, vita gay phan cue yen. Dien hinh la cac nguyen t6thuOc 3 chu kST ddu.
Chang han, cac don chat hydro, oxy, nitd, flo, khi trd d6u khong mau.
Chung khong hap thu cac Wong tit cua anh sang trong thay, vi nang Wong dia.
cac Wong tit nay khong du de chuyen electron len cac mitt nang luting cao hdn
trong phan tit (AE lon). Cac dam may electron ditoc ben yang, kilo di chuyen
va kh6 bien dang, nghia la phan cue ion cUa phan tit cac chat ay rat kern trong
anh sang nhin thay. Tuy nhien, trong anh sang tit ngoai thi hydro, oxy..:va ca
khi trd se "co mau" (nhung mat ngoai khong nhin thay dttoc) do chUng de clang
hap thu cac Wong tit tit ngoai có buck song ngan, nang Wong loin.
(ChU brom, iod thi có mau, b6i vi phan tit chat da chitanhie'u electron
c6 cac mite nang Wong sit nhau (AE nh6), may electron lai de bien clang va
phan vi kith thuOc loin (nguyen to thuOc chu kST 4, 5) nen chi can nhiing
Wong tit nang Wong nh6 cua anh sang nhin thay cling du di chuyen electron
len cac mitt nang Wong cao hon, mau cultic plant sinh).
Nhung hop chat vo co tao b6i cac cation H+, Li+, Nat, Ic+, Be', Mg', Ba',
B', Al", C4+, Si4+... voi cac anion F-, Cl-, Br-, I-, OH-, NO3-, C032-, SO4', 02 ,
khong c6 mau, do cac ion nay tao thanh tit cac nguyen to s, p cila 3 chu
kST ddu c6 vo electron ngoai bang 8. Hang chit ST la ngay ca khi dien tich cua
cation lon (B", Al', C4 +, Si') ma van diva tao thioc cac hop chat mang mau,
nhu Na2O, Na2S, MgO, B2O3, H3B03, Al(OH)3, CO2, Si02, BaS, CS2, CC14,
A1C13, Al2(SO4)3, H2SiO3... d6u la nhiing chat khong mau. Trong dung dich
hoac d trang thai 16ng chiing khong co mau con d trang thai ran thi chung co
mau trang.
• Ngtioc lai, cac nguyen to ho d (kim loci chuyen tiep) thuOng tao ra
nhfing hop chat có mau, nhit cac hop chat ciia cac cation Cu', Ag+, Au', Cr3+,
Mn4+, Fe", Fe3±, Co", Ni"..., hoac cua cac anion Cr04' (yang), Cr2072- (da
cam), Mn04 2- (luc), Mn04- (tim), [AuC14]- (yang), [Fe(CN)6]4- (yang tuoi),
[Fe(C1•) 6] 3- (ctO thdm), [Fe(SCN)6]3- (d6 mau)...

221
 Cac nguyen to chuy6n ti6p c6 nhiing lop ve) electron chita hoan chinh,
hoac 18 electron lop ngoai, cluing con nhi6u orbital trong de thu hilt electron
(nhit tao cac lien k6t phol tri) nen tac dung gay phan citc rat 16n, hop chat cila
cluing de phat sinh mau sac.
CO the nod, tat ca cac kim loai chuy6n ti6p de'u có cac hop chat mau.
Nhi6u ion c6 citc ion "n6i tai" lon d6n mite chung c6 mau rieng, du d
the hay trong dung dich, nhit cac mu6i cua Pr3+ luon c6 mau xanh,
trong tinh the
Mn04- luon c6 mau tim...
*VI du 5-37. Mite oxy hoa cua nguyen to tang cao, tac dung gay phan
tang lon, d'an d6n mau sac cac hop chat ding thay d6i.
• ei cac hop chat caa mangan:
MnSO4 MnCO3 Mn203 Mn02 Mn042- Mn04-
MnO
Khong mau Khong mau Luc t6i Nau Den Luc Tim

• O cac hop chat cita crom:

[Cr(H20)6]" [Cr(H20)6]3+ Cr0 42- Cr2072-
Lam Luc \Tang Da cam

• O cac oxyd cua vanadi:

V20 VO V203 VO2 V205
Xam sang Xam Den Chain Da cam
* Vi du 5-38. Moi tritang anh hitang den mail sac cil'a cac ion:
• CuF2 va CuSO4 khan khong mau, vi cac anion F-, S042- kho bi phan
ctic, phan cuc ion trong phan tit nhO, cac chat cluta c6 mau. Khi hoa tan vao
nitoc, ion Cu2+ ditOc hydrat hoa tao [Cu(H20)4]2+ có mau xanh, cac phan tit H2O
de bi phan ale da thay th6 F-, S042- do do phan citc ion trong [Cu(H 20)4]2+ lon,
nen mail xuat hien.
N6u lai thay cac phan tit H 2O bang NH3 de bi phan cite hon nita thi ion
[Cu(NH3)4]2+ c6 mau xanh tim rat dam.
SU tang citang mau cila ion Cu2+ cang gap trong phan itng dinh tinh rifou
nhi6u chfic: ke't tua Cu(OH)2 mail lam chuy6n thanh mau chain dam khi tac
dung vdi glycerin tao thanh dong glycerat. Phan tit glycerin da bi phan clic
hoa de clang bai Cu2+. Tac dung thay doi mau do dung moi cang quan sat ditOc
khi hoa tan CoC12 (xanh) dang khan vao nit& hoac vao ritou ethylic de tao ra
cac dung dich mau hong do Co2+ bi solvat hod.
• CO truang hop mau cila hop chat bi6n mat khi hoa tan. Chang han tia).a
PbI2 mau yang, nhting dung dich chlta phan tan ciia PbI 2 lai khong mau.
Trong dung dich, ion I- de bi phan cite da ditoc thay bang phan tit nit& kho bi
phan citc hon bao quanh ion Pb 2+ khi dien ly, phan citc ion manh trong phan
tit PbI2 khong con nen mau cang hien mgt.

222
 • Co truang hop mau bie'n mit khong phai do din ly (nhu d truOng hop
PbI2), ma la do truang lite gay phan cue cila cation bi yQu di vi tang so/ tik
phan bi phan cute. Chang han, HgI2 c6 mau do tra nen hoan toan khong mau
khi tan trong ete (mac du trong ete thi HgI2 chi tan tai d dang phan tit, khong
bi diQn ly).
Nguyen nhan d chti, trong ete ton tai cac phitc solvat [HgI2(ete),J. Trude
khi hoa tan, Hg2+ chi gay phan ckic len 2 ion am (211, m6i I bi phan cite manh,
nen phan cue ion trong HgI2 lon, mau xuat hiQn. Nhung sau khi hoa tan,
tritCing lute gay phan cue ciia Hg2+ bi chia nhO cho nhiQu hat (21- + n phan tit
ete), nen trong Hg12 (ete)n phan citc ion kern, mau khong the xuA hiQn.
Gang c6 the quan sat sit mit mau theo co c14 Wong tit, khi them du KI
vao tua PbI2 (yang) yd. HgI2 (dO) de tao thanh cac phiic hoan toan khong mau
cua [PM4]2- va [1-104]2-. Nhu vay, chi can giam di mot nita tniang lite gay phan
cuc cua Pb2+ va Hg2+ (do tang s6 anion tit 2i- thanh 411, phan cuc ion trong cac
chit da giam manh den mite mau khong the ton tai.
• Vi du 5-39. Mr tao mang tinh the anh huang den mau cila chit. Cdc
phan tit, nguyen tit va ion trong mang ltt6i tinh the luon luon dao dOng, do do
khong neing lam thay d6i sit phan b6 din tich duong va am quanh moi tigu
phan, nghia la hien tuong phan cue ion luon "san co" trong tinh the. Phan a/c
ion ldn hay nhO tuSr thuQc vao clic tinh cac tik phan va tau tao mang lttoi tinh
the. NQu phan cuc ion trong tinh the du lon, tinh the se c6 mau, ya mau lung
thay cloi theo kik dang cua tinh the, chang han:
•ei cac hop chit cira chi:
Pb0 (lap phtiOng) PbO (thoi thing)
Vang DO da cam
PbCrO4 (don ta.) PbCrO4 (thoi thing)
Vang tham Vang tuoi
• Diu huSrnh c6 cac mau tit yang sang den nau tharn. Phospho c6 mau
trang, yang, do, nau, Um, den... M6i mau cua lttu huSrnh va phospho ttIcing
diking vii mot dang thu hlnh c6 tau true tinh the, tinh chit vat ly va hod hoc
khdc nhau.
• Carbon c1 dang ciu true tit diQn (kim Wong) thi trong suit, trong khi
clang than chi thi mau xdm den.
• Trong thien nhien, khong c6 nhfing tinh the ma ciu true da hoan thiQn.
Tinh the thitang c6 2 16i trong ciu true: nut mang lttdi bi khuye't (khong c6
mat tieu phan cua chit k6t tinh) va sit c6 mat cila tap chit la (phan tan dgu
bode nhom hop tiling \rung trong tinh the'). Cac 16i nay lam cho tinh the co
nhfing diem di thuOng, tai do phan elle ion c6 cu6ng dO lon nen mail sac dg
xuit hiQn.

223
 Quang Beryl la berili nhom silicat Be3Al2[SiO3]6, nhting neu ran Cr3+ thi
co mau xanh, ran Li+ hay Cr+ thi có mau dO. Chung la nhiing da. qui (lam ngoc,
hang ngoc).
Calci carbonat la chat khang mau. Tinh the CaCO3 neu ran Nat, K+ se co
mau lam, cham hay tim; ran Rb va Cs se mau dO hay da cam; fan Mn2+ thi cho
mau hang, hoac yang (neu ran them vai loai ion khac), tao thanh ngoc trai.
• Khi dun nong, dao &Ong cua cac tieu phan trong tinh the &toe tang
Wang, cac tieu phan gAn nhau hcin, tac dung gay phan clic hoac biphan cl./c
cua cac hat manh hdn, phan ctic ion lon, tinh the se phat sinh mau sac.
ZnO d nhiet crci flub:mg có mau trang. Neu d6t nong, no se có mau yang.
* Vi du 5-40. Khi cac cap electron tu do trong ph6i tit "bi keo" vao nhiing
orbital trang cUa ion kim loai de hinh thanh cac lien kelt phol tri se lam thay
d6i trang thai electron cUa phan tu. Neu phan cue ion du lon thi mau sac cila
phitc chat cling hien d6i. Chang han chat mall alizarin:

2A1(OH)3

O
V ang

Ale + 6H20

3
O
Do
Nhu vay, alizarin mau yang chuyen thanh mau dO trong phfic chat voi A13+.
Thong tu, neu cho alizarin ke't hop vOi Cr3+ se duoc pluic chat mau nau;
vdi Fe3+ se duoc phlfc chat mau tim.

224
 Chticing 6

NHIET HONG HOA HOC

MUC TIEU
1. Tinh dude hieu ring nhiet dal ph,cin ang du'a vao sinh nhiet, nhiet nang
lu'o'ng lien kei hoc du'a theo dinh luat Hess.
2. Trinh bay du'cjc 2 dOng lyc act qua trinh tu' din biert.
3. Chi ra duvc 4 tru'ang hop anh hu'eing ctia nhiet ckt den deru ciia AG.
4. Tinh duck gia tri ceta AG de xcic dinh chieu hu'dng va gidi han ctia mot quci
trinh hoa hoc.

Khi nghien ciiu cdc qud trinh hoa hoc, nguai to can
- Phan ling có xay ra khong va xay ra den giai han nao?
Cdc qui luat cua nhiet dicing hod hoc trinh bay trong chuong nay se giai
clap cau hen do.
- Nhfing ye'u to nao anh iniang den t6c dO phan ling? trang thai can bang hod
hoc? cau tra lai nam trong not dung cna phan DOng hod hoc (Chticing 7).
1. NHIET HOA HOC
* Nhiet hod hoc la mot nhanh cua Nhiet dOng hoc (Thermodynamics),
chuyen nghien ciiu dinh hiong hieu iing nhiet cUa cdc phan ling hod hoc tren
co s6 Nguyen 1ST I là dinh luat bao toan nang Wong.
Tat ca nhang thay d6i trong vat cht dtioc di ding ved thay d6i nang Wong.
Phan ling xay ra có th6 kern theo thodt nang Wong goi la phcin ling phat
nhiet, con phan iing h6p thu nang hiong goi la phcin zing thu nhiet.
Luang nhiet thodt ra hay hap thu khi phan ling goi là hieu ling nhiet cua
phan ling.
Nhiet Wong cua phan ling cung cap rat nhi6u thong tin ve sv hien d6i
hoa hoc va chi6u huOng cua phan ling.
* MOt s6 dinh nghia va khdi niem trong nhiet dOng hoc van dung cho
nhiet dOng hoa hoc.

225
 He thong hod hoc (goi tat la he) là met chat hoac tap hop nhieu chat can
nghien citu. Tat ca cac phdn con lai bao quanh he goi la moi trttOng xung
quanh. Vi du, cac chat trong binh phan ling lam thanh met he hod hoc.
VO binh phan itng, phong thi nghiem va ca'phdn con lai cua vu tru la mei
tracing xung quanh.
He co lap la nhiing he khong trao dOi chat yd. nang Wong vdi mai trtiOng
xung quanh.
He kin la he khong có trao dOi chat, nhttng có trao cloi nang hiOng vdi
moi tracing xung quanh.
— He ha la he có trao cloi ca chat va ca nang Wong vdi moi tniang xung quanh.
Trang thdi vi mo la trang thdi ciia chat trong he dttoc dac trung bang cac
gia tri xdc dinh ve cac tinh chat vi mo cila no (nhiet de' T; ap suat P; the
tich V; s6 mol moi chat co trong he, ...). T, P, V, goi la cac
thong s6 trang thai. Cdc thong so nay khong dec lap vdi nhau, ma lien he
vdi nhau qua phttong trinh trang thai, vi du phttong trinh trang thdi cua
n mol khi 1ST Wang PV = nRT.
— Trang thdi vi me la trang thdi ciia chat dac tiling bang trang thdi xac
dinh caa moi phdn tit (phan tit, nguyen
Cling met trang thdi vi mo iing vdi met so- lon cac trang thai vi mo khac
nhau. Nhiet Ong hoa hoc chi nghien ciiu cac trang thai vi mo.
1.1. Ni:)i nang
UK (chuyen citing) Up (nguyen tit)
cua phan tit trong Wong tac gitta cac
khong gian hat nhan va cac
electron trong
nguyen tit
UK (quay) ciia Up (lien ket)
phan tit, nguyen Wong tdc giita cac
tit quanh truc nguyen tit trong
lien ket
UK (dao Ong) cua Up (hat nhan) la
lien ket nang Wong cila
cac tieu phan
vi trong hat nhan
nguyen tit
A
Hinh 6.1. Cac thanh phgn cua nOi,nang (U)
Noi nang U dia mot chat (hay met he) la nang Wong toan phdn cua cac
phan tit tao nen chat do (he do). No bao gom dong nang va the nang cua cac

226
phan tit. acing nang cua cac phan tit la nang Wong cilia chuygn dOng tinh tign
cua cac phan tit, nang Wong cua chuygn Ong quay cilia .cac nguyen tit quanh
truc va nang lacing dao &Ong cilia cac lien kgt (Hinh 6.1A).
Thg nang cua cac phan tit la luc day va but gifta cac phan tit, hoac giita
cac electron voi hat nhan nguyen tit; nang Wong dia lien kgt va nang lacing
hat nhan (Hinh 6.1B).
Nang Wong toan phAn cua he ggm tang dOng nang Uk (A) va thg nang Up
(B) cua cac tigu phan trong
U = Uk Up = Uk (chuygn diing) + Uk. (quay) + Uk (dao dling) +
Up (nguyen tit) + Up (lien kgt) + Up (hat nhan) (6-1)
(Chu ST: Ong nang va thg nang cua toan 138 he trong trong tracing kh8ng
tinh vao not nang cilia hg).
Ngi nang phu thugc vao trang thai cilia chat, dttoc xac dinh bai cac thong
sectrang thai T, P, V, ni, D6 la mgt ham trang thai.
Khi he chuygn tit trang thai 1 (goi la trang thai dau) sang trang thai 2
(goi la trang thai cueii) thi bign thien not nang (AU) cilia hg la:
AU = U2 - U1 = U, - Ud (6-2)

Trang thai Trang thai

on dau cudi
Ud Uc
Nang hrong Nang lagng
z Trang thai
giai phong Trang thai
\ hap thu
cu6i dau
Uc Ud
A
Uc <U, Ue >15,
Au < 0 Au > 0
Hinh 6.2. Gin d6 trao dOi nang luong ctlia he voi moi truting
A, HO giAi phOng nang lu'ong ra mai triiOng, U, - U d = AU < 0
B, He hgp thy hang hong tCt mai tru'ong, U, - Ud = AU > 0
AU c6 the < 0 hoac > 0 digu do phu thugc vao not nang cilia trang thai d'Au
va cal cilia h0. Hinh 6.2 minh hoa va giai thich ve dau cilia AU.
* Bien thien not nang AU cilia he có thg chuygn thanh nhigt (Q), hoac
thanh tong (A), hoac dgng thai thanh c6. 2 dang Q va. A.
Theo Nguyen 1ST I cilia nhigt dgng hoc, that chat la dinh luat bao toan
nang Wong, to phai c6 bi4u
AU = Q + A (6-3)

227
 * Hinh 6.3 minh hoa va giai thich trang hop h chi trao di nhiet vdi
mei truang va dau dm AU. along nhien, st1 trao do:5i nhiet phai theo dung
Nguyen 1ST II ca Nhiet deng hoc: nhiet chi truye'n ti vat n6ng sang vat lanh,
khong c6 chieu nguoc lai.
T,,, > Tm, T,,, =
Nhiet di?
— HO 7_ phOng T
ruing
_
Simyymorni
Ud U,
T,,, = T,, < T„„
(Q) giai / Nhi4 (Q)
z Nhiet dO AL.J < 0
0 pphOng
h ra AU:> u thu tir
T môi trerng MT
Mei trUon
s g
H,0 . '"

U, d

A
Hinh 6.3. Bien thien not nang AU khi he chi trao d61 nhiet vol riled truting
A. Nu'Oc nOng (He) truye'n nhiet (Q) ra m6i tru'Ong cho den khi The = TMoi trudng• Vi
U, > Lic va the tich he khong thay d6) (AV = 0) nen he kh6ng sinh cong (A = 0).
Khi do, theo bigu thitc 6-2 thi AU <0 va Q <0.
B. Nu'Oc de (He) nhen nhiet (Q) tir m6i tru'Ong cho den khi The = Tmo. irudn,• Vi U d <
U, va the tich khong thay d6i (AV = 0) nen he khong sinh cong (A = 0). Vey AU >
0 va Q >0.
Truing hop minh hoa Hinh 6.3 duoc goi la qua trinh clang tich
(V = const, Av = 0), nhiet (Q) trao d6i goi la nhiet clang tich Qv, va nhu dã
thay, bien thien not nang:
AU = Qv (6-4)
Hinh 6.4 minh hoa va giai thich truang hop he chi sinh cong khi bien di
not nang.
Xet phan fing cUa
Zn (r) + 2HC1 (dd) —› H2 (k) + ZnC12 (dd)
(r: rA.n, k: khi, dd: dung dich)
Phan Ung khong thoat hoac thu nhiet (Q = 0) vi duoc tien hanh trong
binh kin each nhiet có g6n be pittong - xilanh.
Vi Q = 0 va he sinh cong nen nang Wong cila he giam, U < Ud, AU < 0
nen A < 0.
Neu tang áp suat ben ngoai d giam the' tich cia phan Ung, thi nang
Wong cila he tang do thgc hien cong tit ben ngoai, khi do AU > 0 va A> 0.

228
 Kld quyen

He
— HCl

ou

Ong (A) ra
mOi truing A < 0

Ue
Hinh 6.4. He trao d6i nang lu'ong chi du'di clang cong. Kh1 H2 hinh thanh
va glen no tao ra mot ap suit dgy pittong ch6ng lai ap suit ben ngoai
Bang 6.1 cho bie-t quy LiOc vg cl6u cita nhiet va cong, do do quye-t dinh clAu
cita bie-n thien not nang.
Bang 6.1. Dgu Q, A va AU
A = AU

Phu thu6c vac do Ion

tuyet d6i ciaa Q va A

* Nang itiOng tiniOng xugt hi0 duoi ding cong va nhiet. Don vi quo-c to
cua nang ltiOng là Joule (J). Quan he gifia cong va nhiet nhti sau:
A (cong) = F (WO x d (quang dvang)
F = kh6i Wong x gia to-c
N (Newton) = kg x m/s'
N là don vi qu6c
A = N x met = (kg. m/s2) x m = kg.m 2/s2 =
1J = 0,2390 cal hoac 1 cal = 4,184 J
lkJ = 1000 J = 0,2390 kcal = 239,0 cal
* VI du: xac dinh stf thay doi not nang AU theo J, kJ va kcal khi mot
Wong khi chay tao ra 451J dAy pittong de thing ap suit ben ngoai \Ta deing
thai giai phong mot Wong nhiet 325 J.
Gfai: Nhiet giai phong tit he IA Q = -325 J
C8ng ma he tlykic hien là A = - 451 J
Vay, AU = - 325 + (- 451) = - 776 J = -776 J x lkJ = - 0,776 kJ
1000 J
2390kcal _— - 0,185 kcal
= - 0,776 kJ x 0,
1 kJ

229
 Theo do, dttoc hien: U, < Ud nen. AU= U, - Ud < 0
* Luong nhiet va cong trong su chuyen doi nang Wong clad he phu thuOc
vao cach tien hanh qua trinh.
Vi du, khi dot chay mot phan tii octan (la mot thanh phdn cua khi d6t)
bang oxy de tao ra CO2 va hoi nude, phan Ting chtoc vi6t:
C814,8 (1) + 0, (k) 8 CO, (k) + 9 H2O (k)

Trang thai dau, Ua Trang thai cu6i, Uc

MOt phdn pang Wong nhiet cUa phan iing tod ra lam nong mai triiang,
mot phdn khdc c6 the sinh cong ra ben ngoai, vdy AU < 0, U, < Ud.
Neu clot octan trong binh and (he ha), sii thay dai nang Ming hdu nhii
ham than dudi dang nhiet (v6i mot luong nh.6 &fed dang cong de thang ap sudt
//led trttang).
Nhung neu dal octan trong he kin (trong Ong co cila cac loci may) thi
mot phdn lon nang luting hien dai (-30%) &tang nhu chuyen thanh cong cho
may chay, phan con lai se lam nong &Ong cd, hoac 136 phdn lam lanh va moi
tritang xung quanh.
Nhtt vdy nang Wong xudt hien duo% dang nhiet (Q) va cong (A) có the
khdc nhau tuST thuOc cdch tien hanh qua trinh, nhttng tang nang Wong ciia su
"[Dien dai nOi nang (tang nang Wong nhiet va cong) la khong thay de>i, AU =
const. Ngtiai to noi, nOi nang U cua he la mot ham trang thai, no chi phu
thu6cvao trang thdi ddu va trang thdi cu6i dia qua trinh bign doi, khong phu
thuOc vao each thiic tien hanh qua trinh do nhtt the nao.
* T6m lai:
Bien thien nOi nang (AU) cila cac qua trinh hod hoc dttoc chuyen thanh 2
clang nang Wong: nhiet (Q) va cong (A). Nang Wong chuy6n thanh nhi4 khi
nhiOt dO trong h0 va nhiet do mai tnthng xung quanh khdc nhau (Nguyen 1ST II
cUa nhiet &Ong hoc).
Nang luting chuyen thanh cong de di chuyen cac thanh phdn cua he.
Nhiet va cong ben ngoai tdc ding vao mot he (Q > 0, A > 0) lam tang
nang Wong (nOi nang U) cua he.
Nhiet va cong cUa he gidi phong ra ngoai (Q < 0, A < 0) lam giam nang
Wong cila
Tang sit thay deii nOi nang cila he la tang nang Wong dia nhiet va cong:
AU = Q + A.
Nhiet va cong dtioc do theo don vi guile t6 cUa nang Wong la J. NOi nang
la mot ham trang thai, vi vdy AU chi phu thuOc vao trang thai ddu va trang
thdi cu6i ciia he, khong phu thuOc vao each thlic tien hanh qua trinh. Vdi mot

230
gia tri AU nligt dinh, nhiet (Q) va cong (A) c6 thd ton tai hoac xual hien bgt
kST sti kdt hop nao. Q va A khong phai la ham tra.ng thai vi cluing hoan toan
phu thuac vao d4.'c didm &tang di cUa he trong qud trinh bidn dai nang luOng.
Nang ktOng luon luon &toe bac) toan. N6 chi chuygn tit clang nay sang
Bang khdc, di chuydn tit trong he ra ngoai hoac ngtioc 14i. Tang nang luong
cila he va nang Wong cila mei truang xung quanh la mat hang s6 (Nguyen 1ST I
cua nhiet clang hoc), duoc dien dat bang bieu thiic toan hoc:
AE Tang = AE He + AE Moi twang = (6-5)

1.2. Enthalpy (H)

NInt da bidt, nang Wong trao d6i cila he hoa hoc the hien qua bidn thien
AU = Q + A. He xac dinh cluoc AU, chUng ta phai xac dinh &toe hai ydu to la
nhiet va Cong., Hai dang quan trong nhgt cila ,cong hod hoc la cong then dd di
chuyen cdc tieu phan tich then va cong PV de gian na, thong lai ap sua't mai
truang. Trong cac phan Ung hod hoc thong thuang, he chil ygu sinh cong PV.
Chung ta c6 the xac dinh duoc Wong cong PV bang cach nhan ap sugt ben
ngoai (P) v6i thd tich khi thay cloi (AV = Vcuol Vdki = V2 V1). Day chinh la
ding gian nd khi ra mai truong:
A = - PAV (6-6)
(phai dat dgu am (-) vi khi he sinh cong, not nang cUa. he giam, 15, - Ud = AU < 0).
Hinh 6.5 giai thich vi sao cong ditoc tlutc hien bai he tai la PAV.
Di0 Lich
F Pi (S)
P = — va AV = SAh
S

A = -PAV = ----s-SAh Ah

Don vi:
kg.m/s2 kg.m 2
m2
x m3 =
S2
=J Trdng thdi ddu Trang thai cu6i
(V,) (V,)
Hinh 6.5. Cong gian na
Khi the tich V cUa he gia tang mat luong AV ra mai trttang ngoai c6 ap
sugt P, he da thuc hien mat cong ra ben ngoai (A = -PAV). Chu Y rang, don vi
cua PV c6 this nguyen nang Wong la Joule (kg.m2/s2).
Gia this, hinh 6.5 là mat binh phan itng de ha va c6 khi thodt ra, ta phai
tinh ditoc cong A cUa khi nay thuc hien ra mai truang. Cho thuian tien, nguai
ta data ra mat bidn so nhiet clang goi la Enthalpy (H) de loci 1)6 si can thi6t
phai xem xet cong A cf ap sugt khong &di (P = const). Enthalpy du'o'c dinh
nghia la not nang ctia he cong vat mot tick ap sit& va the' tich ceta no:

231
 H = U + PV (6-7)
Bien thien Enthalpy (AH) la bign thien not nang Ong voi mot tich s6 Oita
ap sudt khong doi (P = const) vai hien thien the tich:
AH = AU + PAY (6-8)
VI U, P, V la nhung ham trang thai, nen H cling la mot ham trang thai.
VI vdy AH chi phu thuOc vao sit khdc nhau gifia He cUa trang thdi cu6i va Hd
cua trang thdi &du, va:
AH = He - Hd (6-9)
Kgt hop hai phitc3ng trinh 6-3 va 6-6:
AU = Q + A
A = -PAY
suy ra: AU = Q + (-PAY) = Q - PAV (6-10)
Lacing nhiet trao cl6i trong qua trinh ding dp (P = const), ky hieu Qp,
&toe rut ra tit phaong trinh 6-10 la:
Qp = AU + PAY (6-11)
Ve phai cua phacing trinh 6-11 va 6-8 ro rang la dung nhdt, do chinh la
bien thien Enthalpy AH.
Vdy, bign thien Enthalpy Wong &tong vOi Qp la Wong nhiet trao d6i (thu
vao hoc toa ra) cua he dap sudt khong thay d6i:
Qp = AH = AU + PAY (6-12)
Bai vi hdu het cdc bien d6i hod hoc xay ra 6 dp ,sudt hang dinh, nen AH
hdu nhu deu c6 lien quan va de do dticic hcsn la AU. He tim AH, chung ta do Qp.
Bien thien Enthalpy cua he cung cap cho ta nhigu thong tin gid tri ve sit
bign doi nang Wong.
Khi phan ling hod hoc Xay ra ma khong co sit thay d6i the tich thi:
AV = 0 nen PAY = 0, do do AH = AU = Qv (6-13)
Qv la Wong nhiet trao d6i trong traang hop clang tich, da the hien 6
phiicing trinh 6-4.
Nha vdy, c6 hai loai nhiet phan ang ma cluing ta can tom tat va lam ro:
— Nhiet phan ling 6 the tich khong tong di chuyen he tit trang thdi ddu
c6 not nang U1 sang trang thdi cuol co not nang U2 la A = -PAY = 0, va AU
= U2 - U1 = Qv; Qv la nhiet phan ilng 6 the tich khong
Vdy, nhiet phan ling 6 the tich khong doq Qv la litdng nhiet trao doi trong
qud trinh phan iing hod hoc, trong do he phan ling c6 the deb hang dinh khi
chuy4n tit trang thdi ddu sang trang thdi cu6i va nhiet dO d hai trang thdi do
bang nhau.

232
 (Chu ST rang, nhiet dO c6 the bie'n d6i trong qua trinh phan ling, flirting
moi tinh toan duoc thtic hien khi ma nhiet dO cugi da bang nhiet dO ban dau).
6 day, Qv = AU nen clang nhii AU,.Qv la mot ham trang thai, chi phu thuOc vao
trang thai Tau va trang thai cugi elm he.
- Nhiet phan ling a ap suit khong d6i: cling chuyen he tii trang thai dau
sang trang thai cue:1'i A = AU = U2 - U1 = Qp - PAV, nghia. la: Qp = AH
= H2 - H1 (xem phuong trinh 6-9 va 6-12).

Qp la nhiet phan ling a ap suit khong d6i va Hi, H2 la Enthalpy cua he a

trang thai dau va trang thai
Vay, nhiet phan ling a ap suit khong.d6i (Qp) la Wong nhiet trao d6i
trong qua trinh phan ling hod hoc, trong do N phan ring chuyen tif trang thai
dau sang trang thai cugi .6 AID suit khong d6i va nhiet TO a hai trang thai do
bang nhau.
Cling nhu Qv, Qp la mot ham trang thcii. ChU S7 rang, khi xugt phat tii
cling trang thai dau nhii nhau, nhiing cac trang thai cugi thu duoc do bign d6i
ding tich va clang ap khong nhgt thigt phai gigng nhau, nghia la Qv va. Qp c6
the khac nhau. Ch-Ling ta se xem xet mo'i quan he Qv va. Qp d nhiing phan sau,
khi van dung cu the trong hieu ring nhiet cua phan ring. Tuy nhien, trong thUc
rat nhieu phan ling it lien quan den ding PV. Thong thuang thi hau het
nang hiong bign d6i dtioc chuyen sang dang nhiet. Dieu dO dtioc minh hoa a 3
truang hop sau:
a. Phan ling khong lien quan den chgt khi (nhieu phan ling trung hoa,
kgt tua , oxy hoa vi du:
2KOH (dd) + H2SO4 (dd) -> K2SO4 (dd) + 2H20 (1)
VI chgt fang Ira chgt ran bie'n d6i the tich rat nha, xem AV r=', 0 va PAV 0,
vay AH rz-,' AU.
b. Tang so mol khi tham gia phan ling bang tong so mol khi tao thanh
sau phan ling, vi du: N2 (k) + 02 (k) -> 2NO (k)

6 day V = const, vay AV = 0, PAV = 0 va AH = AU

c. S6 Wong mol thay d6i tilt& va sau phan ling, vi du:
2H2 (k) + 02 (k) ---> 2H20 (k)
6 day, ta c6 PAV # 0, nhung Qp thong thilang lin hdn PAV nhieu, tfic là
hau het bien d6i nang Wong AU deu chuydn thanh nhiet, vay AH AU. Cu the,
ngtidi ta xac dinh (kW AH elm phan ling nay la -483,6kJ, con PAV = -2,5kJ,
vay AU = AH - PAV = -481,1kJ.
Tii cac truing hop xet tren cho thky, trong rat nhieu phan ring, Chung ta
hoan toan c6 the sii dung AH là tilcing &long hoc .gin tudng duang voi AU.
Mugn tinh toan thgu dao hdn, ta c6 the xem xet mei quan he gifia Qv va Qp.
Phia tren ta dA thie't lAp

233
 Qv = AU = U2 - U1 (xem pinking trinh 6-4; 6-13)
Qp = AH = H2 - H1 (xem phuong trinh 6-9; 6-12)
Ham H va ham U lai lien he vdi nhau bai he thitc:
H = U + PV (xem phitong trinh 6-7)
AH = AU + PAV = Qp (xem phuong trinh 6-8)
Ta lai biet rang, the tich mol cita cac pha ngting to (ran, long) khong clang
ke so vdi the tich mol cUa cac chat khi. Vi vay, chi cac cat' tit khi mdi c6 Enthalpy
khac vdi not nang ciia cluing. Theo do, thuang chi ct the phan Ting c6 s6 mol khi
thick va sau phan Ilng khde nhau mdi co Qv va Qp khae nhau (tuy rat it). Bang
each thay Qv = AU vao bleu thiic cua Qp va chuyen ye Qv, to thu ditoc:
Qp - Qv = PAV (6-14)
Cac phan ling hoa hoc thuang dace tien hanh d dp suat va nhiet d6
khong d6i (P = const, T = const) nen neu c6 stt thay d6i the tich caa he thi d6
la do sit thay d6i so mol khi cua cac chat trong phan ling:
Qp - Qv = PAV = ART (6-15)
An la hieu s6 gitta tang so mol khi tao thanh va tong so mol khi tham gia
phan ring.
ART ro rang la tong do sit bien thien s6 mol khi trong he phan ling. Khi
An = 0 thi QP = Q.
* VI du: cho biet Qv va Qp khi d6t chay 1 mol ruou metylic d 25°C; bi6t
rang luting nhiet giai ph6ng trong phan ling la 173,7 kcal khi clot trong born
nhiet Wong c6 the tich khong d6i (V = const).
Giai: d 25°C (298°K) phan titng chay c6 phuong trinh:
CH3OH (1) + 3/202 (k) --> CO2 (k) + 2H2 0 (1) + Nhiet (173,7 kcal)
Day la phan ling toa nhiet nen AH = -173,7 kcal.
Do phan ling xay ra trong the tich khong d6i (V=const) cila born do nhiet
hiOng nen:
Qv = AU = -173,7 kcal
= -173.7 kcal x 4,184 kJ/kcal = -726,8 kJ
Neu phan itng x'ay rad dp suat khong d6i (P = const) thi:
An = 1 mol(CO2) - 1,5 mol (02) = -0,5 mol
Ap dung phuong trinh (6-15):
Qp =QV An RT
+

= -173,7 kcal + (-0,5).1,987 kcal/°K.mol x 298 °K x 10'

= -174 kcal
-174 kcal x 4,184 KJ/kcal 7= -728 kJ
Tit thi c to ket qua tren, c6 the coi Qv ~ Q.

234
1.3. Hieu ling nhiet cua cac qua trinh hoa hoc
* Sit Wen dei nei nang cua cac chgt trong phan itng hoa hoc &tee the hien
thanh nang Wong toa ra hok nang Wong hal) thu vao (toa nhiet hoac thu
nhiet; sinh cong ho4c nh4n cong; san sinh ra dien nang ho4c tieu thu dien
/fang; phat xa anh sang ho4c hgp thu anh sang). Tgt ca cac hieu Ung nang
kieng do del.' &tee quy d6i th6ng nhgt thanh hieu Ung nhiet cua phan
hoa..c goi gon lai là nhiet phan
Nhiet phan itng chinh la bidn thien cua Enthalpy (AH) cua phan
cling goi tat la Enthalpy cua phan Ung. AH hien Ian tuan theo he thlic:
AH = Hc - Hd = Hsp - Hut (6-16)
Trong do: Hd : Enthalpy trang thai &Au cila he.
He : Enthalpy trang thai cuoi cila he.
: Enthalpy cua cac chgt da'u (cac chgt tham gia phan
Hsp : Enthalpy cua cac chgt san pha'm (cac chgt tao thanh sau
phan Ung).
Phtiong trinh 6-16 dtioc rut ra tit Binh 1u4t Hess, se trinh bay a phAn tiep sau.
Dgu cua AH se chi ra Wong nhiet giai phong (toa ra) hoc Wong nhiet
duoc hap thu trong qua trinh. Chung ta c6 the xac Binh dgu cua AH bang cach
Wang Wong NHIET nhu la met chgt tham gia phan itng, hoc tao thanh sau
phan itng. VI du, khi d6t metan, nhiet &doe giai ph6ng, chfing ta vidt vao ye
phai cua pinking trinh:
CH4 (k) + 202 (k) —> CO2 (k) + 2H20 (k) + Nhiet
Didu do c6 nghia là cac san phg'm (CO2 va 2H20) c6 Enthalpy thgp (nho)
hdn Enthalpy cua cac chgt phan Ung (CH4 va 202) met Wong bang luong nhiet
too. ra, do do AH (= He - Hd) la am. L4p Juan nay duoc the hien tren sd do
Enthalpy cUa Hinh 6.6A. Way, met qua trinh kem theo sit giam Enthalpy cua
he la qua trinh phat nhiet, nhiet &fee tach ra mei trliang: He < Hd AH < 0.
NglfOc lai, d qua trinh thu nhiet (nhiet tit mei trtfang duoc he hap thu)
thi NHIET duoc vidt' vao ve trai cua pinking trinh nhu là chgt tham gia phan
fing, vi du:
NHIET + H2O (r, da.) —> H2O (1)
Didu do co nghia la Enthalpy cua niiOc long cao han Enthalpy cua ITU&
da met hieng bang Wong nhiet hgp thu vao he, do do AH (= H —rut& Find& da)
mang dgu doing. La, p luan nay duoc the hien Wen hinh 6.6B. Way, met qua
trinh kern theo sit tang Enthalpy a a he la qua trinh thu nhiet:
> Hd, AH >

235
 CR, + 202
Hd
A xi-
0 Ir Not ra > Nhiet vaol
Tod. nhiet nhiet
!CO, *21t0 H,0 (dd)
H,
A B
Hinh 6.6. So d6 Enthalpy coa qua trinh toa nhiet va qua trinh thu nhiet
A. Si! chay cOa metan lam giarn Enthalpy vi nhiet toa ra khOi he, Hc<H,, AH < 0.
B. Sri nong chh cua mroc sit hap thu nhiet nen lam tang Enthalpy cua he,
Hnuac > Hint& da nen AH > 0.
*Vi du: ye sO do Enthalpy va xac dinh dau cua AH de cho bie't qua trinh
la toa nhiet hay thu nhiet trong 2 tniang hop sau:
a. H2 (k) + 1/202 (k) H2 O (1) + Nhiet (285,8 kJ)
b. Nhiet (40,7 kJ) + H2O (1) —› H2O (k)
Giai: CS (a) Nhiet IA "san pham" tao thanh sau phan itng, vay la qua trinh
toa nhiet AH < 0 .(Hinh 6.7a).
o (b), Nhiet la "chat tham gia phan iIng" (chat dau), vay la qua trinh thu
nhiet, AH > 0 (Hinh 6.7b).
Chu ST cac chat cling phia voi nhiet trong phtiOng trinh phan itng luon
luon có Enthalpy nha hcin cac chat a phia kia cua phtiOng trinh, do do chting
nh.'m d vi tri thap horn trong sci do Enthalpy (hinh 6.7).
* Nhiet hod hoc sinh ra tii dau? Lai giai dap se lien quan dgn ngwin geic
cila hieu itng nhiet trong Phan ling. Hay xet phan ling sau a 25°C lam vi..du:
H2 (k) + 1/202 (k) —> H2 O (k) + Nhiet (241,8 kJ)
hoac vi6t AH = -241,8 kJ

2 (k) 1/20, (k)

(Chat dau) /N (San phdm)
AH = -285,8 kJ H. AH = +40,7 kJ
TOA NHIE,T THU NHleT
H„,
p Hp„)
7 (San phdm) (Chat dau)
a
Hinh 6.7. So d6 Enthalpy
(a) Phan ang tao thanh H2O (I) tit H2 (k) va 02 (k) la qua trinh toa nhiet.
(b) Nit& king chuyen thanh hoi la qua trinh thu nhiet
Ghi chu: Gia tri AH phu thu'Oc vao dieu kien. VI du, trong sci d6 (b), AH = 40,7 kJ la
1 atm va 100°C; con a 1 atm va 25 °C, AH = 44,0 kJ

236
 Vay, luong nhi6t giai phong trong phan iing lay tii dau? Chac than rang,
do la tif ski bie'n doi not nang (U) cua he, ma cu the la a cac nang luong thanh
phan gom dang nang (UK) va the nang (Up) cila cac chat trong phan iing.
Phtiong trinh (6-1) cho thay:
U = UK + Up
Khi he có bie'n dai nang hiong, ta vie't phuong trinh:
AU = AU(K) + AU(p) (6-17)
[D6 tin so sanh, ta có th6 lien he vdi chi6c dang ho chay bang day cot.
Khi day cot duoc len, /fang Wong ciia (tang ho (trang thai ban dau) cao hon. Khi
day cot gian het (trang thOi ke't nang hiong cua deng 116 d mtiic thap nhat.
S7ki thay doi the nang Up caa day cot duoc chuy6n mat cOch cham chap thanh
clang nang UK cila cac ho phan chuy6n dang (banh xe, nut gat, kim, bang hien so
ngay, thOng...) va sau do bie'n thanh nhiat do cac qua trinh ma sat].
Trang thai ban dau cua phan Ting hod hoc (cac chat tham gia phan -tang
H2 va 02 d 25°C) có nang Wong cao hon. Trang thOi ke't thilc phan ling (san
pham H2O clang khi a 25°C) có nang hiring thap hon. Vay, phan nang hiring
chenh lach duoc giai phong duoi dang nhiet phan Ting.
Can phai thao luan ti6p rang, thanh phdn nao cua not nang chiu trach
nhiam trong bie'n doi nang Wong elm phan ling? Phtiong trinh 6-1 cho bi6t, not
nang clia he chat là tong cila 6 thanh phan: 3 thanh phan cua &Ong nang UK
va 3 thanh phan caa th6 nang Up. UK có vai tro hiring during voi nhiat do tuyat
doi (K). Nhiing khi cac chat tham gia phan Ting va tao thanh sau phan
ding mat nhi6t do (298K, hay 25°C) thi tang UK khong thay dai, AU K 0.
Theo phuong trinh 6-17 thi bie'n doi not nang chi con phu thuac vao bie'n dai
the nang Au g . Trong 3 thanh phan elm Up (xem phtiong trinh 64) thi Up
(nguyen khong thay doi, Up (hat nhan) khong tham gia vao bie'n dai hod
hoc, nen Aup (nguyen t) + AU p (hat nhan) = 0. Vay chi con the nang cua cac lien ket
UP(lien kgt), la thanh phan chiu trach nhiam trong bie'n doi nang Wong cua cac
chat; AU p (lien kgt) # 0. Tom lai: nang lu'o'ng giai phong hay help thu trong mot
quci trinh Nen cteci hoci hoc chinh la sit khcic nhau ve: the cac lien ket
trong cac chat phcin zing va cac lien ket trong cac chat san pham.
CS phan Ting toa nhiat, the nal-1g cua cac lien ke't, Up (hien k6t), trong cac san
pham nhO hon the nang cua cac lien ket trong cac chat phan ling nen
Aup (lien kgt) < °, nang hiOng chenh lach &toe giai phong ra khoi he. CS phan ling
thu nhiat, UMien kgt) cua cac san pham lon hon la cua cac chat phan ling, nen
Aup (lien kgt) > 0, he hap thu nang hiong.
Tra lai phan ling da neu, ta có th6 noi: tang nang hiong lien k6t cua cac
chat phan ling (1 mol dia lien ke't H-H vb. 0,5 mol cila lien ke't 0-0) lon hon
tang nang luting lien ke't caa cac san phdm (1 mol H-O-H, hoac Wong ling 2

237
mol lien kgt O-H). Sit chenh lech ve nang Wong Wong Ung 241,8 kJ &toe giai
phong dtidi dang nhiet cia phan
Cac nha hod hoc quan niem cac lien kgt 376u là nhiing lien kgt kern ben
\Tung, pha vd chUng chi can It nang Wong (\Ta khi hinh thanh, chung chi giai
phong mat nang luting nh6). Nguoc lai, cac lien kgt manh là nhiring lien ket
ben yang, can nhieu nang ltiOng de pha va chUng (va khi hinh thanh, chUng
giai phong mat Wong lon nang Wong). Chung ta con tra lai van de nay
nhang not dung khac cua giao trinh. Tuy nhien, d day cung can lien he mat
chut \rai thtic tel
Nhien lieu cung cap nang Wong cho may chay chi ygu cac hop chat
hydrocarbon va than; cho co the sang là chgt beo va carbonhydrat. Ca 2 loci
nhien lieu can cho may va can cho cd the deu tao nen tit cac phan tit chita chi
ygu cac lien kgt C-C va C-H. Khi nhien lieu duoc sit dung cac lien IA nay bi
phd vd, cac nguyen tit C, H lien kgt v6i. 0. Nhung san phAm cu6i ding vo dung
cua nhien lieu lA CO2 va H2 O chfla cac lien kgt C-0 vd. O-H. NhU vay, cho phep
chUng ta tien doan rang, tang nang Wong cua cac lien kgt C-C va C-H trong
nhien lieu tong v6i. nang Wong dm lien kgt trong 0 2 là lon hdn tang nang
Wong cua cac lien ket C-0 va 0-H trong cac san pham vo dung.
Bang 6.2. Nhiet chay (AHcomb) cilia mat s6 hop chgt carbon

Cong thik S6 lien k6t S6 lien k6t AHcomb AHcomb

Ten ch6t (tong thac) au tao C-C va C-H C-0 va 0-H (kJ/mol) (kJ/g)

H H
Hop chat 2 carbon: I I -51,88
H-C-C-H 7 0 -1560
Etan (CA) I I
H H
HH
I I -29,67
Etanol (C2H5OH) H-C-C-O-H 6 2 -1367
i I
HH
H
Hop chat 1 carbon: I
H—C—H 4 0 -890 -55,5
Metan (C1-14) A

H
Metanol (C1-1,0H) H-C-O-H 3 2 -727 -22,7
H

Cac nhien lieu chlia nhieu lien kgt ygu (kern ben, dki trii nang Wong cao)
cung cap nang Wong nhieu hdn so vdi nhien lieu chfia it cac loaf lien kgt do.
Bang 6.2 dung de chUng minh kgt luAn nay c1 cac hop chgt 2C va 1C. Chu ST: s6
lien kgt C-C, C-H giam va/ho'ac s6 lien kgt C-O, O-H tang thi nang Wong giai
ph6ng tang it, nghia là Ax se it am hdn. N6i each khac, tang it so lien kgt vdi
Oxy trong nhien lieu thi nhien lieu tang him Ich hon. ma va carbonhydrat IA

238
ngtAn thifc ph6m giau nang Wong. ma chiia nhung chai Carbon (cac lien ke't
C - C) gan vdi cac nguyen tit Hydro (cac lien ke't C-H). Carbonhydrat c6 cac lien
ke't C-C tao thanh nhiing don vi cau tao c6 tong thiic H-C-0-H (chi' ST cac lien
ket C-0, O-H). Nlyti da biet, cac chit and chila nhigu Calorie bon trong m8i
gam so vdi carbonhydrat. BOi vi trong and c6 It cac lien ket vdi Oxy nen nang
luring giai phong tit chit ma nhidu hdn la tii carbonhydrat (dttang, tinh bet),
ne-u cac chit deu bign d6i den cani tao CO2 va H2O (Bang 6.3).
Bang 6.3. Nhiit chay (41-1comb) dm met s6 chgt beo va chit during
Chgt Alicomb (kJ/g)
Chit beo:
Diu thtic vat 37,0
Bo thtic vat 30,1
Bo Ong vat 30,0
Chit diking:
Saccarose 16,2
Mach nha 14,9
Xiro hoa quA 10,4

1.4. Ski phuthuOc cita hien Ling nhiet \Tao nhiet dO. Dinh 1u4t Kirchoff
1.4.1. NhiOt dung cUct tufa chat
* Khi mot vat the hip thu nhiet tang nhieu thi nhiet do cua no tang
tang. Vay, Wong nhiet hip thu ti le thuan vdi bign thien nhiet do:
Nhiet = Hang s6 x AT
Mei vat the c6 kha nang dung nap nhiet khac nhau tuST thuec vao dac drill
rieng cua no. Hang s6tST le dac trttvg cho m8i chit dttoc goi la nhiet dung (C):
Nhit
Nhiet dung = C = [Don J/°K]
AT
D6 là Wong nhiet de lam hien d6i nhiet de ciia vat the ling vdi 1°K.
* Nhiet dung rieng (Cr) la Wong nhiet lam thay d6i nhiet 4 cua lg chit
-tang vdi 1°K:
NhietNhiet
Cr = [Don vi: J/g.°K]
m x AT m (T2 - T1 )
m: kh6i hicing chgt (g)
T1, T2: nhiet de ddu va cuel cila chit (°K).

Bang 6.4. cho bigt nhiet dung rieng ci1a met s6 chit thong dung.

239
 BAn_ 6.4. Nhiet dung rieng cua mot so nguy8n to, hop chgt va vat li8u
ChM Nhiet dung Hong (J/g.°K) 6 298 °K (25°C)
TT
0,900
1 Al
C (Graphit) 0,711
2
Fe 0,450
3
Cu 0,385
4
Au 0,129
5
4,70
6 NH3 (I)
Nu'oc, H2 O (I) 4,184
7
2,46
8 C2H 5OH (I)
Ethylenglycol (CH 2OH)2 (I) 2,42
9
CCI4 0,862
10
G6 1,76
11
Ximang 0,88
12
Thuj/ tinh 0,84
13
Granit (da) 0,79
14
Thep 0,45
15

[Chu ST: ntiOc 16ng c6 nhiet dung rieng bat thang, - 4,2 J/g.°K, g'an bang
6 Fan nhiet dung rieng cua da ntli (-0,7 J/g.°K). Nhi do, nude d cac dai dUcing
ban ngay hap thu mot Wong lin nhiet tit mat trai, lam nhiet d6 trai d'at khong
nong qua. Ngtioc lai, ban dem khi khong con mat trai staii am, Wong nhiet lin
til dai diiong lai thoat ra lam 'am trai d'at. Gia this trai dat khong c6 cac dai
diving ma chi Om tii cac loaf da (nhti mat trang) thi ban ngay nhiet dO se rat
cao, ban dem lai vo ding lanh leo].
* Nhiet dung mol la Wong nhiet lam thay d61 nhiet d6 1 mol chat ling Wit 1°K:
Nhit [Don vi: J/mol.°K]
C, =
So mol x AT
Nhiet dung rieng (C r) dia H2O la 4,184 J/g.°K (Bang 6.4). Vay nhiet dung
mol (CO cua nil& la.:
= 4,184 J/g.°K x 18,02g/lmol = 75,40 J/mol.°K
* Nhiet dung mol ding tich (C u) va nhiet dung mol clang dp (C r)
Trtioc tien ta can luu ST
- Thong thttang, ngttdi ta chi de cap den nhiet dung cim he ding pha c6
thanh phan c6 Binh (khong c6 stt bie-n doi trang thai nhti nong chay, soi,
thang hoa, chuye'n thin hinh...).
1ST dia vat chat
- Nhiet dung ding giOng nht.t tST trong, la mot d4c tinh vat
phu thu6c vao nhiet

240
 Nhiet dung mol trung binh tinh theo nhiet de trung binh, c6 cong thifc:

C = (6-18)
T2 - T1 AT

Q la lacing nhiet lam cho nhiet de cia' a mol chat thay d6i tit T1 den T2,
nhang khong lam hien dei thanh phan pha cia' a he. Khi AT —> 0 thi:
6Q
C„ = — (6-19)
dT

dT khong phai la dao ham ciia nhiet .theo nhiet do, ma la

Can hien 8Q
Wong nhiet ye cling be gay ra hien dei nhiet de. Nhiet dung theo phaong trinh
6-19 goi la nhiet dung thu'c.
Suy Q tit ph-acing trinh 6-19 va thay vao 6-18 ta c6 phadng trinh lien
quan gitia Cµ va

1 T2
C= SCo dT (6-20)
T2 - T1 T,
Hoi v6i qua trinh bien dei Bang tich (V=const) ta co nhiet dung mol ding
tich Cv:
aQ (au (6-21)
Cv =—=
dT ■ arriv
T2

Suy ra: Qv = AU = SCv dT (6-22)

Khi ap suit khong dei (P = const) ta c6 nhiet dung mol ding dp CP:
aQp (510 (6-23)
CP
dT yaT, p
T2

Suy ra: Qp = AH = HT, - HT = 1CpdT (6-24)

Phadng trinh 6-24 the hien Wong nhiet can dg dot nong ding hp 1 mol
chat ta T1 va T2. Lacing nhiet nay giong hi0 ling nhiet, nhang gia tri c6
the khac nhau.
Ti 6-22 Ira 6-23 ta c6:
afc (ao _ au` +p(av` (au (6- 25)
( 8T 1P aT ,„ aT p v

241
 Doi voi khi ly tttcing, vi not nang chi phu thu6c vao nhi8t d6, titc U d6c
lap voi V va P, do do:
f
(aul _ c aul nen
,aT), LaT)v '
av
CP —Cs, =p(— (6-26)
7T )

Doi IA. 1 mol khi ly Wang:

(apv av
PV=RT --->
aT jp
=P
( aT ) =R
Vay, Cp - Cv = R (6-27)
Hang s6 khi ly Wang R co gia tri 8,31 J/mol.°K. Vay R c6 this nguy8n cua
nhi8t dung mol.
Doi vdi khi hi8u CP-Cv khac nhau.
Doi vOi chat ran va chat Fang, CP va Cv c6 gia tri Wan bang nhau.
Noi chung, nhidt dung la ham dia nhi8t d6.
1.4.2. Dinh ludt Kirchoff ve cinh hu'ang ciict nhiet coo der' hieu zing nhiet
ctia phcin ang
Cac phan ling hoa hoc co thd chic bidu din bang phuong trinh chung:
aA + bB = xX + yY
A,B: cac chat phan iing, chat (tau (ccl).
X,Y: cac chat cu6i, san pham (sp).
Ta cia c6 phttong trinh 6-9:
AH = H° -Hd
Vigt phuong trinh 6-9 cho phan ling tren:
AH = EHsp - EHcd (6-28)
= (xHx + yHy) - (aHA + bHB)
Lay ciao ham cila AH theo T dd tim sit bidn thien cua AH theo nhi8t dO, to c6:
(aAIII [x(aHx ± yr eliy I [a( aHA blaHB
aT )P )P aT )P )P )P

311
Theo pinking trinh 6-23 thi: (-) = C nen:
aT "

242
 = (xCp,x + YCp,y) - (aCp,A + bcp,$) (6-29)
arr ip
ECp(sp) - ECp(cd) = ACp
ACp la Men thien nhiGt dung mol cua phan ling, tfic hi:Gu s6 nhiGt dung
mol cua cac chat (san pham va chat dau) tinh theo phtiong trinh phan ling ty
ltiOng d nhiGt do nhat dinh.
Phtiong trinh 6-29 thicic vie't 6 dang tong quat:
= ACp (6-30)
p

dAH = ACp.dT (6-31)

Lay tich phan trong khoang nhiGt do tii T i den T2, ta có:
T2 T2

fdAH = fAcpdT (6-32)

T2

AHT.2 AH = 16,c dT (6-33)

Cac phtiOng trinh tii 6-29 d6n 6-33 d'6u la nhang each th'4 hiGn dinh luat
Kirchoff (R.Kirchoff, nha vat 1ST nglidi Rae, 1824-1887).
Platicing trinh 6-33 cho cluing ta thay ro st.t chenh lOch AH d hai nhiGt do
phu thuOc vao ski khac nhau giiia nhiGt dung mol cua cac san pham va nhiGt
dung mol cua cac chat phan ling (chat dau).
Khi ACE > 0 thi hiGu ling nhiGt AH tang theo nhiGt dO; khi ACp < 0 hiGu
ling nhiGt giarn khi nhi'Gt dO tang; con ne'u ACp = 0 nhiGt clo khong anh httang
den hiGu ling nhiGt.
N6u.bie't hiGu ling nhiGt 6 mot nhiGt dO nhat dinh (vi du AHT , thtiong do
6 dieu kiGn chuan 298°K va 1 atm), ta có the xac dinh &toe hiGu ling nhi:Gt cua
phan ling 6 bat kST nhiGt do nao (vi du AHT2 ) ne-u biet dtioc nhiGt dung mol cua
cac chat trong phan ling.
Nhting nhiGt dung mol dang alp Cp la ham cila nhiGt dO. Co th4 tinh chide
Cp 6 nhang nhiGt dO khac nhau nho pinking trinh thiic nghiGm:
Cp = a + pri‘ + 71'2 +
6 day a, 13, y la nhfing hang so thiic nghiOm cho Bing chat xac dinh 6
nhiGt do T.
* VI du: tinh Cp cho CO (k), H2 (k) va CH3OH (k) a 25°C (298°K) va tinh
bie'n thien nhiGt dung ACp cila phan ling:
CO (k) + 2H2 (k) -> CH3OH (k)

243
 Bi.e't a, 6, y flint trong bang sau:
CO (k) H2 (k) CH3OH (k)

a 6,342 6,947 4,398

R 1,836.10-3 - 0,20.10-3 24,274.103
- 0,2801.10-6 0,4808.106 - 6,855.10-6
Chu ST: don vi caa Cp va ACP a day la cal/mol.°K
Giai:
Cp (co) = 6,342 + 1,836.10-3.298 - 0,2801.10-6.2982 = 6,864ca1/mol.°K
Cp(H2) = 6,947 - 0,20.10-3.298 + 0,4808.10-6.2982 = 6,930ca1/mol.°K
Cp (cH3oH) = 4,398 + 24,274.10-3.298 - 6,855.10-6.2982 = 11,025ca1/mol.°K
Theo phliong trinh (6-29) dp dung cho phan ling nay, ta c6:
ACP = Cp (0.130H) - [Cp (co) Cp (H2 ) X 2]

= 11,025 - 6,864 - 6,930 x 2 = -9,699 cal/mol.°K

Trong truang hop tong quit, frit& het ngvai ta phai tinh duoc hien thien
nhiet dung ACP tai nhiet do T2 xay ra phan ling, sau do dila ACP vao phthing
trinh (6-33) va lay tich phan de tim hieu ling nhiet cua phan ling AH T2 , neu da
biet AHTi (vi du da xac dinh a dieu kien chuan).
Tuy nhien, thuang st/ khac nhau vg nhiet dung mol ding Ala (ACp) cua
chat trong khoang nhiet de hep la rat nha nen có the coi nhtt khong d6i. Khi
do .phitong trinh (6-33) c6 ding:
AHT, = AHT, + Acp (T2 - T1 ) (6-34)
Trod 141 phan ling tong hop methanol a vi du tren, hay tinh hieu ling nhiet
AHT, cua phan ling nay a 35°C; biet hieu ling nhiet Affri a 25°C bang -21,68
kcal/mol va sii dung 141 tri s6 nhiet dung mol cua phan ling da tinh dttoc cua
bai toan tntdc.
Giai: T1 = 25°C + 273 = 298°K
T2 = 35°C + 273 = 308°K
ACp = - 9,699 cal/mol.°K = 9,699.10-3 kcal/mol.°K
(Nh* dung a 25°C dtioc xem la khong d6i a 35°C)
AHTi (v250c) = -21,68 kcal/mol

244
 Thay cdc du lieu vao phuong trinh (6-34), ta
AH T2 (Ct 3 50 C) = -21,68 kcal/mol + (-9,699.10-3 kcal/mol.°K) x (308-298)°K
= -21,78 kcal/mol
So sanh hieu iing nhiet a 25°C yd. 35°C ta thdy thong khdc nhau rat It.

1.4.3. Phu'ung trinh nhiet hod hoc

Cdc phuong trinh phan ling hod hoc du oc viet kern theo hieu iing nhiet
(bie'n ddi Enthalpy AH) goi la phudng trinh nhiet hod hoc.
Vi hieu uing nhiet cua phan Ting phu thuec vao met s6 dieu kien nhii
nhiet de, ap suit, Wong chdt, trang thdi vat 1ST cua cdc chdt phan iing (chdt
dau) va cdc chdt tao thanh (san phdm), nen trong phuong trinh can ghi ro
trang thai cua cdc chdt (khi, Fong, ran, clang tinh the), nhiet de ma tai d6 phan
ling xay ra, cdc he s6tY' luring mol giaa cdc chdt, ddu cua AH.
VI du, phan iing gala Na kim loaf va kill C12 d 25°C (298°K) tao ra NaC1
tinh the thi pinking trinh nhiet hod hoc dude viet:
Na (r) + 1/2C12 (k) —> NaC1 (r) AH298 = -411,1 kJ
Hieu iing nhiet cUa phan iing AH c6 hai ddc trung can chi]. 57 ddu (-
hodc +) phu thuOc true tiei) vao qud trinh bie'n ct6i va do lon phu thu'ec vac)
Wong cdc chdt phan lang. Do do, khi d6i phAn ling thudn thanh phan iing
nghich thi ddu cua AH cang doi ngtioc lai. VI du, khi phan huS, 2 mol rut&
thanh cdc nguyen to, ta c6 phan
2H20 (1) —> 2H2 (k) + 02 (k) AH = 572 kJ
Nguoc lai, sv tao thanh 2 mol nuoc tii cdc nguyen to, phan iing chicic
2H2 (k) + 02 (k) —> 2H20 (1) 4H = -572 kJ
Khi viet phan iing cho sV tao thanh 1 mol ntidc thi phuong trinh Wong
fing se la:
H2 (k) + 1/2 02 (k) —> H2O (1) AH = -286 kJ
De thudn tien trong so sanh, ngithi ta xdc dinh AH d die'u kien chudn (se
trinh bay d phdri tiep theo).

1.5. Pinieing phap the dinh hieu itng nhiet cim phan iing. Dinh lulat Hess
1.5.1. Xcic dinh true tie-p trong phong thi nghiem
* De do firing nhiet trao doi ding ap Qp cua qua trinh, ngtiai ta hay dung
thiet bi do c6 hinh clang nhu mot c6c caphe lon (Hinh 6.8). Nhiet ke cho biet
nhiet dO khi do mdu tang (d6i vdi qua trinh ma mdu tod nhi4) hoac giam (dooi
vdi qua trinh ma mdu thu nhiet). Luring nhiet ma mdu do (he) tod ra se bang

245
dung Wong nhiet ma mei truicing xung quanh (6 day le ITU& trong c6c) nhen
&toe va nglroc lai. Ta c6 pinking trinh nhiet don gian:
- Qmau = Qmioc

- Nhiet ke

C6c c6 \TO
x6p.cach nhi6t

Nu'dc
(mOi tru6ng)
Mau do
(he)

Hinh 6.8. Nhigt lu'ong kg "c6c caphe" dg do nhigt dAng gp Qp

N6 chiia met Wong nuoc xac dinh trong bung cach nhigt kern theo nhigt
kg va que khuey. Doc nhigt de ban d'&.0 cUa nuoc, sau do dua mau (v4t can xac
dinh Qp nhu met vat ran, met chat hoa tan, met dung dich...) vao, khub.'y
dot nhiet de cutla cling cim ruioc.
Gia this mau le met chat ran trci trong mei truang nude can duoc xac
Binh- nhigt dung rieng ding dp C. Khi do pinking trinh nhigt la:
QChal ran = QNttoc (6-35)
Sii dung tong thiic nhigt dung rieng Cr (muc 6.1.4.1)) to c6:
(Cchgt ran X Melia ran X ATchgt ran)
CH2O X rriu n X ATH20

C: nhigt dung rieng (J/g.°K)

m: khol luong chat (g)
AT: bign thien nhiet do (°K)
C„,xmi.40 xAT,in
V4y, C chgt ran (6-36)
Mchgt ran X ATchgt ran

* VI du: 25,64g met chat ran (fro trong nude) duoc lam n6ng len 100°C
(trong nuoc soi) va due dua can then vao nhiet luong kg chlia 50,00g nude.
Nhigt do caa nude trong nhiet Wong ke" tang tit 25,10°C len 28,49°C. Tinh
nhiet dung rieng cUa chat ran.

246
 Giai: ta lap bang dU lieu sau:
m (g) C (J/g.°K) Tau (°C) Teu6i ( ) AT (°K)
Chgt ran 25,64 ? 100,00 28,49 - 71,51
H2O 50,00 4,184 25,10 28,49 3,39

Ap dung phuong trinh (6-36), ta có:

4,184 J/g.° K x 50,00g x 3,39°K
CChat ran
= 0,387 J/g.° K
25,64g x (-71,51° K)
(Plytiong phap do nhiet nay the nao clang phai chiu met sai s6, vi ltiOng
nhiet do mau toa ra khong hohn than chi do niidc ha) thu. Du vat lieu thing
lam nhiet Wong k6 each nhiet rat tot, nliting qua cac nut, thanh c6c, que
khugy, nhiet van co met Wong nhiet mat mat).
* De do chinh xac toan be Wong nhiet thoat ra til mau (he) ngithi ta can
phai biet nhiet dung cila nhiet ke. Born nhiet Wong (Hinh 6.9) la met thiet bi
ditoc thiet ke de dap ling yeu cdu nay.
(Sau khi khugy deu, dot nhiet de cila ntiflc chUa trong nhiet Wong ke. Lo
so trong bom thep &toe ngu6n dien d6t ming se cham ngoi cho phan iing chay
cila 02 va mau do. Nhiet cua phan ffing chay chuyen toi cac be phan cua nhiet
ltidng ke. Nhiet do cuoi can dot la nhiet clo cao nhgt co the dat dLioc cUa thiet
bi do).
Quc khua'y
gin mow

Nguiin di'en
Nhie't ke.

shay va oxy)
Mat at eila vo each nhi'et
Mit cat oh horn thep
Bc nude
nam ngap trong nu'oe

Là xo ngoi shay
Nhie't toa ru

Hinh 6.9. Born nhiet lu'ong de do nhiet dAng tich Qv dia ph6n (tng chay

* VI du: d6t 15,6g benzen Fang trong born nhiet Wong o dieu kien thtiang,
ngifai ta thy nhiet do cUa nhiet Wong 14 tang them 80,33°C. Biet nhiet dung
ciaa nhiet Wong ke la 8,151 kJ/°K, tinh AH o dieu kien thitang cho phan

247
 15
C6H6 (1) + — 02 (k) 3H20 (1) + 6CO2 (k)
2
Giai:
Qbenzen = Qnhiet Wong ke" = CnhiOt Wong Ice X AT
= 8,151 kJ/°K x 80,33°K = 654,8 kJ
Dicing nhigt giai phong tinh cho 1 mol benzen (C6H6 = 78) theo phan iing
da cho se la:
654,8 kJ
QBenzen(kJ/mol) -i = 3274,0 kJ/mol
15,6 g / 78 g.mol

VI phan itng chay trong born nhigt Wong có V = const, AV = 0 va PAV = 0, nen
nhigt giai phong la nhigt ding tich Qv = AU = -3274 kJ/mol, khong phai la AH.
De2 tinh AH thtic, ta ap dung pinking trinh (6-15):
AH = Qp = Qv + A,RT
Bigt phan ling tign hanh d digu kign thliang, nen T = 25°C + 273 = 298°K
\Tay ta c6:
AH = Q, =
-3274,0 kJ/mol + (6-7,5) mol x (8,3144.10') kJ/mol.°K x 298 °K.mo1-1
= -3277,7 kJ/mol
M6t Mr). niia cluing ta lai thay gifia AH vb. AU khac nhau rat it, trong
nhigu tritang hop có the bo qua. Sau nay, nguthi ta quy thong nhat va chi
sit dung AH cho tat ca cac phan ling.
* VI du: mot nha may yeu cdu phong thi nghigm kigm tra xem 1 suat an
trang migng cua tong nhan có du 10 kcal theo quy dinh cila hop d6ng cung cap?
Giai: cung trong born they) cua nhigt hieing kg not tren ngvai ta tign hanh
dgt chay 1 suat an trang migng, thy nhigt cto cua nhigt Wong kg tang them
4,937°C. Vay:
Qnhigt hicing kg = Cnhigt Wong kg X AT
= 8,151 kJ/°K x 4,937 °K = 40,24 kJ
D6i ra kcal, etude:
40,24 kJ
= 9,62 kcal
4,184 kJ/kcal
Nhii vay, suat an hoi thigu calorie mot chat so vdi quy dinh (trong Dinh
dicing hoc ngttoi ta quen goi kcal la calorie).

248
1.5.2. Xcic dinh AH gicin tiejl nha dinh lutit Hess
Do trUc tie-p hi:0 ling nhiet dia phan iing nha cac loci nhiQt Wong Id chi
thuc hiOn dtioc trong mot so/ it truang hop (khi phan.fing xay ra nhanh, hoan
toan va khong doi hoi nhttng die'u kien plific tap). hAu het cac phan Ung, viQc
xdc dinh trite tie-p AH gay rat nhi6u kilo khan hoac khong the do duoc. Trong
hoan canh do, nguai ta c6 the xdc dinh hiQu ling nhiQt bAng phuong phdp gidn
tie"p nha dinh luAt Hess (H. Hess nha hod hoc ngtiai Nga, 1812-1850):
HiQu ring nhiet cua phan iing chi phu thuQc vao trang thdi d'Au va cuoi
cua cac chAt, khong phu thuQc vao cac giai doan trung gian cua qud trinh
phan iing.
HoAc not each khdc, bi6n thien Enthalpy (AH) cua toan 130 mot qud trinh
bang tong cac bien thien Enthalpy cua cac bulk rieng cua qud trinh.
Dinh luAt Hess duoc phdt hiOn vao nam 1840, trtioc khi xay citing
Nguyen 15T I dm Nhie't &Ong hoc, nhting thtic chAt no chi la hQ qua tit nguyen
1ST do. Bai le, cac phan ling hod hoc thUang xay ra i3 ap suAt khong d6i hoac doi
khi d the tich hang dinh. HiQu ring nhiQt la hien thien not nang AU va bign
thien Enthalpy AH. Ma AU, AH la nhfing ham trang thdi nen hieu ring nhiet
chi phu thuQc vao trang thdi dAu va trang thdi cugi cua hQ.
Dinh luAt Hess c6 tam quan trong lon lao trong hod hoc, vi can cia vao do
ta c6 the Ong frit cac phan iing nhtt cac pinking trinh ctai s6 thong thuang; co
the xdc dinh gian tie'p hiQu iing nhiet cua phan ring kh6 do true tie-p hoAc
kh6ng the do trite tie-p dtioc; tit do cho phep thong ta tim ra hiQu itng nhiQt cua
bAt kST phan -tang nao bang con &tang tinh town ma ,khong can lam that
nghiQm, thAm chi do la phan ling do ta Wang Wong ra de dat den muc tieu sap
-dat trace.
* Vi du: ta khong the xdc dinh trtic tigp hiQu Iing nhiQt cua phan fing:
S (r) + 3/2 02 (k) --> SO3 (k)
VI Wu huSmh chdy trong oxy kh6ng tao ra ngay SO3, ma qua bride trung
gian tao SO2 va i3 di6u kin nhAt dinh moi chuygn thanh S03. NInt vlay, can
phai di &tang vong de" tinh duOc AH cho phan ring muc tieu. Cu the ta sap xgp
3 phan ring sau:
Phan ling 1: S (r) + 02 (k) --> SO2 (k) AH, = -296,8 kJ
Phan ling 2: 2S02 (k) + 02 (k) -+ 2S03 (k) AH2 = -198,4 kJ
Phan iing 3: S (r) + 3/2 02 (k) —> S03 (k) AH3 = ?
Ta lAy phan ring 1 cQng voi 1/2 phan ling 2:
Phan ling 1: S (r) + 02 (k) ---> SO2 (k) AH, = -296,8 Id
1/2 phan ling 2: SO2 (k) + 1/2 02 (k) —> SO3 (k) 1/2 AH2 = -99,2 kJ
S (r) + 02 (k) + SO2 (k) + 1/2 02 (k) > SO2 (k) + S03.(k)

249
 hoSc, S (r) + 3/2 02 (k) -> SO3 (k) day chinh la phan ling 3, Vay:
AH3 = AH1 + 1/2 AH2
= -296,8 kJ + (-99,2 kJ) = -396,0 kJ
Cung có th6 giai bang mot sd d6 ddn gian:
Trang thai ddu Trang thai cu6i
AH3
S (r) + 3/2 02 (k) SO, (k)

AH, AH12

SO2 (k)
Dinh lust Hess cho phep
AH3 = AH, + AH2'
Thay cac gia tri da bie't cUa AH1, AH2' vao plutOng trinh, ta tinh chtoc AH3
cua phan ling muc tieu (chi]. ST: AH2' = 1/2 AH2 cim phan ling 2 da cho):
AH3 = -296,8 kJ + (-99,2 kJ) = -396,0 kJ
Nlut vay, khi van dung quy lust Hess de tim AH chtta bigt cua mot phan
ling, ta can that hiOn 3 bitdc sau:
1. Xac dinh phan ling muc tieu (phan IIng chinh) ma AH diva duoc bi6t.
Chu y s6 Wong phan tit cac chat tham gia phan ling va cac san pha'm tao
thanh sau phan
2. Sap xe-p lai cac phan ling ma AH da biet, sao cho cac chat tham gia
phan ling va cac san pham tao thanh cim phan ling muc tieu dttOc &at ding
mot phla Wong duong. Phai nh6:
a. Doi dau OH ne-u lay phan itng nghich dao.
b. Di6u chinh lai s6 mol va OH theo dung thita so can lay.
3. COng cac phan -tang da biSt OH de thu duoc phan ling muc tieu co AH
can xac dinh. Tat ca cac chat ngoai lai phai &toe loaf bO, trii nhfing chat có
mat trong phan ling muc tieu.
AH cua phan itng muc tieu &toe tim ra tit tang dai s6 cac AH cua cac phan
ling thanh phdn.
1.5.3. Dieu ki@z chudn. Trang thai chudn
Mut da trinh bay d cac phAn tren, gia tri hi8u ling nhi.8t cim phan ling
phu thu6c vao ban chat va tang thai tap hop cila cac chat dSu va cac san
pham phan ling, vao tY luting glita cac chat va vao nhi.8t dO. Cho nen de de so
sanh cac hi8u ling nhi.8t voi nhau, nguai ta cho phan itng dien bie-n trong cac
di6u kin chuSn va quy dinh Tang thai chuSn cho cac chat. Cu the cac di8u
kiOn do la:

250
 - Ap suat 1 atm
- Nhiet di) 25°C (298°K)
- Cac chat tham gia phan ling phai nguyen chat, c6 trang thai vat 1ST ben
viing va ton tai ph6 bign d nhiet do 25°C va ap suat 1 atm (vi du, trang
thai chudn ciia carbon va o)ty lan litot la than chi va 02, chit khong phai
la kim Wang va ozon 03).
Hoi vdi cac chat trong dung dich mfoc, trang thai chuan la nOng do 1M (1 mo1/1).
Hieu iing nhiet dtioc xac Binh trong dieu kien chuan nhti the goi la hieu iing
nhiet tieu chudn, thifang dtioc kST hieu la AH° (ho4c c1 mot s6 tai lieu la AH2°98 ).
1.6. Sinh nhiet AH °f
Sinh nhiet dia mot chat la hieu itng nhiet AHf cua phan itng tao thanh
mot mol chat d6 tit cac don chat d trang thai tieu chuan.
Sinh nhiet tinh c3 di6u kien tieu chuan ve ap suat (1 atm) va nhiet dQ
(25°C) goi la sinh nhiet tieu chuan, ky hieu AH °f . Sinh nhiet cua cac don chat a
trang thai tieu chuan bang 0.
Bang 6.5 cho thay AH °f cua mot so nguyen to va he chgt.
VI du, doi vdi sinh nhiet cua metan, ta c6:
C (graphit) + 2H2 (k) -> CH4 (k) AH (f? = -74,9 kJ
Nhif the c6 nghia la sinh nhiet tieu chudn caa metan bang -74,9 kJ/mol.
Hoac:
Na (r) + 1/2 C12 (k) -> NaC1 (r) AH °f = -411,1 kJ

2C (graphit) + 3H2 (k) + 1/2 02 (k) -> C2H5OH (1) AH = -277,6 kJ

* 6 Bang 6-5 ta chti y mot so diem sau:

- Sinh nhiet cua nguyen to d trang thai tieu chuan bang 0.
VI du, AH °f cua Na (r) bang 0; nhiing cua Na (k) lai la 107,8 kJ/mol. Dieu
nay c6 nghia la trang thai khi cua natri la trang thai killing ben a 1 atm va
298°K; ltiOng nhiet 107,8 kJ/mol la nhiet can cung cap de chuyen 1 mol Na (r)
thanh 1 mol Na (k). Gang ttidng tV, sinh nhiet cua clor nguyen tit (Cl) la 121,0
kJ/mol, bai vi ddn chat ben cila clor cJ 1 atm va 298°K la phan tit 2 nguyen tit
(C12); Wong nhiet 121,0 kJ/mol la nhiet can cung ca) de chuygn 1/2 mol clor
phan di (C12) thanh 1 mol clor nguyen tit (Cl).

251
 Bang 6.5. Sinh nhiat tieu chub caa mot s6 nguyen to va hOp chat
a atm va 25°C (298°K)
o
Cong thCrc chit AH o
f (kJ/mol) Cong thirc chit AH (kJ/mol)

Calci Oxygen
Ca (r) 0 02 (k) 0

CaO (r) -635,1 03 (k) 143

CaCO3 (r) -1206,9 H2O (k) -241,8

Carbon H2O (I) -285,8

C (graphite) 0 Bac
C (kim cu'ong) 1,9 Ag (r) 0

CO (k) -110,5 AgF (r) -203

CO2 (k) -393,5 AgCI (r) -127,0

CH4 (k) -74,9 AgBr (r) -99,5

CH3OH (I) -238,6 Agl (r) -62,4

C2H5OH (I) -277,6 Natri

HCN (k) 135 Na (r) 0

CS2 (I) 87,9 Na (k) 107,8

Clor NaCI (r) -411,1

CI (k) 121,0 Na2CO3 (r) -1130,8

Cl2 (k) 0 Sulfur

HCI (k) -92,3 S8 (r, thoi thing) 0

Hydrogen S8 (r, don ta) 2

H (k) 218,0 SO2 (k) -296,8

H2 (k) 0 SO, (k) -396,0

Nitrogen
N2 (k) 0
NH3 (k) -45,9
NO (k) 90,3
NO2 (k) 33,2

Cdn chn ST them, carbon có hai Bang this hinh la graphit va kim
nhtmg graphit ben va phd bik hdn kim caring a 1 atm va 25°C, nen sinh nhiet
tieu chudn cua graphit bang 0, con cua kim coring là 1,9 kJ/mol. Cung tUdng
tti nhtt vdy cho cac cap 02 va 03; S8 (thoi thing) va S8 (don ta).
— Hau het sinh nhiet tieu chudn AH (f) cua cac hop chdt clew am. Dieu do có
nghia rang phan itng tao thanh cac hop chgt hdu het la toa nhiet vA nh-Li

252
 vay trong phdn lon cac truang hop thi hop chdt la trang thai ben ladn cac
don chdt thanh phdn.
* Sinh nhiet cua cac chat co tam quan trong dac biet, bdi vi theo dinh
luat Hess, ta co the rut ra quy tad chung:
Hieu iing nhiet tieu chudn cua mot phan tYng hod hoc bang tang sinh
nhiet tieu chudn cua cac san phdm tril di tang sinh nhiet tieu chudn cua cac
chdt ddu (cac chdt phan ling). '
AH ° = E AH [SP] - E AH (f) [CD] (6-37)
Sti that thi phudng trinh 6-37 &toe rut ra tii cac pinking trinh 6-28, 6-29.
* VI du: tinh hieu iing nhiet AH 0pu.cua phan
4NH3 (k) + 502 (k) —> 4NO (k) + 61120 (k)
Bidt sinh nhiet tieu chudn cUa cac chdt da ghi a Bang 6.5.
Giai: ap dung phtiOng trinh 6-37, taco:
AH °FM = {LIA H [NO (10] + 6 AH [H2 ° (k)]}

4AH (f) [NH,(k)] + 5AH °t [02(k)]}

= {4 mol x (90,3 kJ/mol) + 6 mol x (-241,8 kJ/mol)} -
{4 mol x (-45,9 kJ/mol) + 5 mol x (0 kJ/mol)}
=361 kJ- 1451 kJ + 184 kJ - 0 kJ = -906 kJ
Chung ta c6 the kiem tra phtiong trinh 6-37 qua vi du tren day, bang
each vie't phan ring nghich cua phan iing tao thanh chdt phan ling (NH3) va
phan ling tao thanh cac san phdm (NO, H2O) tii cac nguyen to, sau d6 Ong dai
so cac phan fing theo quy luat Hess:
4NH, (k) --> 2N2 (k) + 6112 (k) -4 (-45,9 kJ) = 184 kJ
2N2 (k) + 202 (k) —> 4NO (k) 4 (90,3 kJ) = 361 kJ
6H2 (k) + 302 (k) —> 61120 (k) 6 (-241,8 kJ) = -1451 kJ
4NH, (k) + 502 (k) 4NO (k) + 6H20 (k) -906 kJ
Nhtt vay, ap dung pinking trinh 6-37 ta có the tinh hieu ling nhiet cua
bgt kST phan iing nao khi biet sinh nhiet tieu chudn cUa tat ca cac chdt c6 mat
trong phan Ung. Hien nay nguai ta da biet &toe sinh nhiet tieu chudn cUa
khoang 8.000 chdt, trong do khoang 2.000 la cac hdp chdt hfiu cd.
1.7. Nhiet chay AH icponab
Nhiet chay hoac thieu nhiet la hieu ling nhiet AH cionth cua phan iing clot
chay mot mol chdt do bang oxy d dieu kien tieu chudn de tao thanh cac oxyd
ben nhgt.

253
 Cdc chdt ht u co chdy tao ra cac oxyd ben nhdt 1a CO2 (k) va H2O (1). D6i vdi
cac nguyen to, nhit chay cang chinh la sinh nhi4 cua oxyd bgn nhdt ciia no.
* Co the tim nhiet chay cua mot chdt tit sinh nhiet. VI du: tim nhi4 chay
cila CH4 qua phan ling:
CH4 (k) + 02 (k) —> CO2 (k) + 2H20 (k)
Bie't AH 52,47 0 -393,5 -241,83
kJ/mol kJ/mol kJ/mol kJ/mol
Theo pinking trinh 6-37, ta có:
AH °
It AH comb (CH4) = E AH °i. [SP] — E AH';'. [CD]
= {AW. [CO2] + 2AH (t,) [H2O]} — {AI-4 [CH4] + AH f [02]}
= {- 393,5 + 2 x (-241,83)} = {52,47 + 0}
= -929,63 kJ
Thong tit nhti sinh nhi4, data theo quy ludt Hess, ngtiai ta tim ra quy tac:
Hi0 ling nhi4 cUa mot phan ling hod hoc bang tang nhi'e't chdy tieu
chudn cua cac chdt ddu (cac chdt phan ling) trit di tang nhi4 chay tieu chudn
cUa cac san phdrn.
Hinh 6.10 minh hod mot so nhi4 chuye'n pha (nh* bign d6i trang thai)
thtiang gap.

KHi

0.
To
(AHi,h)
LONG
w
(AH °
th

RAN
0

Hinh 6.10. So d6 nhCfng bin d6i trang thai va bin thien Enthalpy chugn cua chung
0 0 ...
AH th : nhiet thang hoa AH nt : nhiet ngu'ng to
o AHL dong dac
AH nc •• nhrOt nOng chAy
o
AH bh '• nhiet
•
bay hcJi AH °hi : nhre't hoa.lang

254
 ChA ST: thang hoa, nong chay, bay hcii la qua trinh thu nhiet (AH° doing);
ngtioc lai ngung tu, dong dac, hod Fong la qud trinh phat nhiet (AH° am). CS m6i
cap qud trinh, AH c6 gia tri tuyet d6i bang nhau, nhung nvoc v6 ddu.
AH ° = E AH comb [CD] - E Ati °c0m, [SP] (6-38)
* Vi du: tim hieu tYng nhiet cua phan itng sau day khi da bi6t nhiet chdy
tieu chu6n ttiong Ting:
C2H4 (k) + H2 (k) ---> C2H6 (k) AH °p o.?
bi6t AH c/0mb -1410,9 kJ/mol -246,1 kJ/mol -1559,8 kJ/mol
Ap dung pliticing trinh 6-38, ta có:
AH °pU = AH °comb [C2H4(k)] + AH womb [H2] AH comb [C2H6(k)]
= 1 mol (-1410,9kJ/mol) + 1 mol (-246,1kJ/mol) - 1 mol (-1559,8kJ/mol)
=-1410,9 kJ- 246,1 kJ + 1559,8 kJ = -97,2 kJ
Nhiet chdy thuOng duoc ling dung de tim hieu iIng nhiet cua phan
d6i voi cac chdt hieu co. O mai muc 1.3 da c6 phdn lien he thiic t6 cua nhiet
chay cac nhien lieu.

1.8. Nhiet hien cloSi trang thai

Su hien doi trang thai la ski chuyen tit mot pha nay sang mot pha khdc
cua chdt nguyen chdt. D6 chinh la su chuyen trang thdi tap hop cua mot chdt.
Bi6n thien Enthalpy khong nhang de chi hieu itng nhiet cua cac phan
ling hod hoc ma con dung de' chi Wong nhiet trao d6i khi chuyen trang thdi
(chuyen pha) d dieu kien clang hp. N6u luong nhiet ay tinh cho mot mol chdt
thl goi la nhiet bi6n d6i trang thai, hoac nhiet chuyen pha cua chdt d6. Trong
qud trinh chuyen pha, nhiet d0 cua chdt khong thay d6i, nhiing he va moi
trUarrg v"a- n frac. d6i nang luong lien tuc. Ngtfai ta thliong phan biet nhfing loci
nhiet chuyen pha AH-Sau:.
- Nhiet n6ng chay (chuyen pha ran sang pha icing) va nguoc lai la nhiet
dong dac (chuyen pha 16ng sang pha ran).
- Nhiet bay hoi (chuyen pha long sang pha khi) va nguoc lai la nhiet hod
lOng (chuyen pha khi sang pha 16ng).
- Nhiet thang •hoa (chuyen pha ran sang pha khi) va nguoc lai la nhiet
ngung tu (chuyen pha khi sang pha ran).
- Nhiet bi6n d6i thu hinh (chuyen d6i giita cac pha ran ciia mot chdt).

255
 Gial dean 3 Giai dean 4 Giai doan 5
Giai dean 1 Giai dean 2

. .

• • : • ••••• • • Al• • •
130

100

O
;11.

ToA NHIeT

6.11. Dieing cong lam lanh ad chuydn de)i hdi nudc d 130°C
thanh nutic dad -40°C, Om 5 giai doan:
Giai doan 1: lam lanh hdi nitric ming o 130°C Giai doan 2: qua trinh hoa IOng, vdi OH hl
Giai doan 3: lam lanh nudc long Giai doan 4: qua trinh clang dac, vdi AH°dd
Giai doan 5: lam lanh nutic da dgn -40°C
Qua trinh hod rang (khl. --> long) vdi nh* hod l'Ong AH °hi va qua trinh
(long dac (lOng --> rain) vdi nhi0 clang dac AH dd có the thay tren Hinh. 6.11.
Chu Y: do d6c xu6ng cua giai doan 1, 3 va 5 phan dnh do ldn cua nh*
dung mol ciaa pha i3 giai doan ay. }hang di ngang cua giai doan 2 dai hdn
&fang di ngang cua giai doan 4, vi nhi'e't hod long cila nueic (AHm) ldn hdn nhiet
dong dac (AHdd) ciia no.
* Bai town: can cif sd do i3 hinh 6.11, hay tinh tang lacing nh* toa ra khi
lam lanh 2,5 mol hdi nit& d 130°C den dd -40°C trong di6u kiOn ap suit
khi quye'n binh thang (ding dip a 1 atm).
Bieet: Cµ (hdi nude) = 33,1 J/mol.°C
CIA (ITU& 'Ong) = 75,4 J/mol.°C
CIA (nveic dd.) = 37,6 J/mol.°C
AH h1 = - 40,7 kJ/mol
AH°dd = - 6,02 kJ/mol

Giai:
1/ Giai dodn 1:H20 (k) [130°C] --> H2 O (k) [100°C]
'Along nhi4 Q1 la tich s6 cua n (so mol nitric), nhi4 dung mol cua hdi
nttdc va bien thien nhi4 do AT = Tajo; - Td&u:

256
 n x Cµ (hdi ntioc) x AT
(2,50 mol) x (33,1 J/mol.°C) x (100°C - 130°C)
- 2482 J = - 2,48 kJ
2/ Giai doan 2: H2O (k) [100°C] —> H2O (1) [100°C]
O giai doan nay, nhiet do khong doi, goi la nhiet de chuydn pha. along
nhiet Q2 la tich s6 cua n (s6 mol nudc) vdi hieu ling nhiet hod icing AH (ii)l :

Q2 = n x (AH°h1 ) = (2,5 mol) x (- 40:7 kJ/mol)

- 102 kJ
3/ Giai doan 3:H20 (1) [100°C] —> H2O (1) [0°C]
Giong nhtf giai doan 1, Wong nhiet Q3 la tich so cua n (s6 mol nUoc),
nhiet dung mol cia' a nuoc lOng va bidn thien- nhietdO AT:
Q3 n x Cµ (milk x AT
(2,5 mol) x (75,4 J/mol.°C) x (0°C - 100°C)
- 18850 J = - 18,8 kJ
4/ Giai doan 4: H2O (1) [0°C] —> H2O (r) [0°C]
6 giai doan nay, nuoc l'Ong (tong dac d nhiet dO hang dinh. LtiOng nhidt
Q4 la tich s6 gii a n (s6 mol nudc) va bleu ling nhiet (nhiet (Tong dac) AH°dd
Q4 n x (AH°dd ) = (2,5 mol) x (- 6,02 kJ/mol)
- 15,0 kJ
5/ Giai doan 5: H2O (r) [0°C] —> H2O (r) [- 40°C]
Ltiong nhiet Q5 tinh nhti giai doan 1 va 3, nhUng nhiet. dung mol cJ day la
cua ntfoc dd:
Q5 n x Cµ (nuoc da) x AT
(2,50 mol) x (37,6 J/mol.°C) x (- 40°C - 0°C)
- 3760 J = - 3,76 kJ
Vay, tong Wong nhiet toa ra la:
Q = Qi + Q2 + Q3 + Q4 + Q5 = 142 kJ
(Dau am da chUng to la nhiet dttoc giai phong trong toanbO qua trinh).
1.9. Nang hicing lien lie-t Ong hod tri
6 chuong lien kdt va cau tao phan tit to da bidt rang, khi cac nguyen tit
tidn lai gan nhau de) hinh thanh lien kdt thi na.'ng Wong caa he (phan giam
so vdi nang luong cua cac nguyen tit ban d'au. Nhu vay, su hinh thanh lien ke't
la qua trinh toa nhiet, bidn thien Enthalpy chua'n luon luOn am.

257
 VI du, khi 2 nguyen tit A, B hinh thanh lien ket:
A (k) + B (k) —> A-B (k)AH = - EA_B (luon luon < 0)
6 day, AH °f, B( la hien thien Enthalpy chuan hinh thanh A-B (Wong ti
nhtt sinh nhiet tieu chuan AH cUa lien ket); - EA_B la nang Wong toa ra khi
hinh thanh lien ket (luon mang da.'u am).
CS dieu kien chuan, cac nguyen tii, phan tii quy dinh a the kill, dip suat
1 atm, nhiet d6 298°K.
Ngtioc lai, nang Wong de phan ly lien ket A-B thanh cac nguyen tii A va
B ban dau a the kill la:
A-B (k) A (k) + B (k)AH = EA_B (luon Ian > 0)
6 day, AH °a la bi6n thien Enthalpy chuan phan ly A-B; EA_B la nang Wong
phan ly lien ket A-B (nang Wong nguyen tii hoc).
Nhti vay, vg gia tri tuyet d6i, nang Wong phan ly bang nang hiOng hinh
thanh lien ket, hieu ling nhiet phan ly lien ket Wa'ng hieu fing nhiet hinh
thanh lien ket AH °f ,ik

Nang Luang Nang prong

;:::` -100 - toa ra khi hgp thu khi
(' hinh thanh phan ly
ti lien ket lien ket
0.0. -200
(-E1144) (-FEH_H)

-300

-400 -
-432
-500
74 100 200 Pm
DO dai lien kei (1pm = 10-3nm)
Khoang each gifra 2 hat nhan
Hinh 6.12. Skt hinh thanh lien 1(61 cQng hoc tri trong ph5n tit H2

Nguai to quy, Vac goi nang Wong phan ly lien ket EA_B (luon luon > 0) là
nang Wong lien ket hoa hoc.
Lien ket \Tung ben (lien ket manh) khi EA_B cang ldn. Mat khac, EA_B cang
Lon khi d6 dai lien ket cang ngan va do b6i lien ket cang cao.

258
 Tat ca nh-Cing not dung trinh bay tren day Khoang cach giaa
ducic minh boa qua .cac vi du cu the ci Hinh 6.12, 2 hat nhan
(do dal Hen kat)
Ban kinh
Bong hoa tri
6.13 va a Bang 6.6, 6.7, 6.8. 143 pm 72 pm

The nang cila he nguyen tit 2H &toe chi ra

theo khoang cach. CS (1) cac nguyen tit rat xa nhau, Fz
kh6ng tticing tac; ei (2) m6i hat nhan bat ddu c6 199 pm 100 pm

Wong tac vdi electron cila nguyen tit khac; a (3) su

to hcip hic but electron-hat nhan, ddy electron-
electron va hat nhan-hat nhan tao thanh nang
hicing thdp cila he. Neu cac nguyen tit lai gdn nhau 114 pm

hdn nhu a (4), luc ddy lam nang Wong ciia he tang.
Hieu so nang lUOng gifia diem (1) va (3) la nang
Wong lien ket H2 (432 kJ/mol). Khoang cach gala 2 Br,
hat nhan c1 diem (3) la d6 dal lien ket H—H (74 pm). 133 Pm

Hinh 6.13.00' dai lien ket va ban kinh dung hoa tri
trong cac phan tit halogen (Ban kinh Tong hoa tri
tu'Ong dutin.g 1/2 do dai lien ket)

Bang 6.6. Nang lu'Ong lien ket trung binh (kJ/mol)

Nang Nang
Lien kgt Nang Lien ket Lien kett Lien ket Nang
lacing luVng Iudng luting
LIEN KET DON
H-H 432 N-H 391 Si-H 323 S-H 347
H-F 565 N-N 160 Si-Si 226 S-S 266
H-CI 427 N-P 209 Si-0 368 S-F 327
H-Br 363 N-0 201 Si-S 226 S-CI 271
H-I 295 N-F 272 Si-F 565 S-Br 218
N-CI 200 Si-CI 381 S-I -170
C-H 413 N-Br 243 Si-Br 310
C-C 347 N-I 159 Si-I 234 F-F 159
F-CI 293
C-Si 301
C-N 305 O-H 467 P-H 320 F-Br 312
C-0 358 O-P 351 P-Si 213 F-I 363 , -
C-P 264 0-0 204 P-P 200 CI-CI 243
C-S 259 O-S 265 P-F 490 CI-Br 215
C-F 453 O-F 190 P-CI 331 CI-I 208
C-CI 339 0-CI 203 P-Br 272 Br-Br 193
C-Br 276 0-Br 234 P-I 184 Br-I 175
C-I 216 0-I 234 I-I 151
LIEN KET 1301
C=C 614 N=N 418 C=C 839 NEN 945
C=N 615 N=0 607 CEN 891
C=0 745 02 498 GEO 1070

259
 Bang 6.7. DO dai lien ket trung binh (pm)

Lien ket DO dai Lien Wel DO dai Lien ket DO dal Lien ket Do dai
LIEN KET DON
H-H 74 N-H 101 Si-H 148 S-H 134
H-F 92 N-N 146 Si-Si 234 S-P 210
H-CI 127 N-P 177 Si-0 161 S-S 204
H-Br 141 N-0 144 Si-S 210 S-F 158
H-I 161 N-S 168 Si-N 172 S-CI 201
N-F 139 Si-F 156 S-Br 225
N-CI 191 Si-CI 204 S-I 234
C-H 109 N-Br 214 Si-Br 216
C-C 154 N-I 222 Si-I 240 F-F 143
C-Si 186 F-CI 166
C-N 147 0-H 96 P-H 142 F-Br 178
C-0 143 0-P 160 P-Si 227 F-I 187
C-P 187 0-0 148 P-P 221 CI-CI 200
C-S 181 0-S 151 P-F 156 CI-Br 214
C-F 133 0-F ' 142 P-CI 204 CI-I 243
C-CI 177 0-CI 164 P-Br 222 Br-Br 228
C-Br 194 0-Br 172 P-I 243 Br-I 248
C-I 213 0-I 194 I-I 266
LIEN KET BOI
C=C 134 N=N 122 C=C 121 N=N 110
C=N 127 N=0 120 CaN 115 Na0 106
C=0 123 02 121 Ca0 113

Bang 6.8. Lien quan giCia c10 b•:ii lien ket, do dai lien kgt va nang lu'dng lien ket

DO bai Da dai lien ket Nang Wong lien !at

Lien ket
lien kgt trung binh (pm) trung binh (kJ/mol)
C-0 1 143 358
C=0 2 123 745
CO 3 113 1070
C-C 1 154 347
C=C 2 134 614
C=C 3 121 839
N-N 1 146 160
N=N 2 122 418
N=N 3 110 945

260
 Phan tit c6 the chi g6m mot loci lien ket (nhu H—H trong phan di H2; C—
H trong phan tit CH 4) hoac nhieu loai lien ket (nhu C—H, C—C, C-0, O—H
trong phan tit H3 C—CH2-0H). 1\4'6i loai lien ket trong cdc phan tit khdc nhau c6
nang luong lien ket khong hoar' toan bang nhau. Ngay CH 4 co 4 lien ket C—H
nhau, nhung nang Wong phan ly Mn luot tit 1 den 4 lien ket d6 cung khdc
nhau chit it. Vi \Tay,. nguOi ta chi data ra ket qua do nang Wong trung binh cho
moi loci lien ket, theo do la do dai lien ket trung binh (xem Bang 6.6, 6.7, 6.8).
Ve nguyen tic, hod Wong tit c6 the tinh town dude nang Wong lien ket, do
dai lien ket, nhung rat phlic tap va hdu het cdc tru6ng hop cung chi thu duoc
nhting ket qua gAn dung. Do do, nguai ta thuOng xdc ditch nang Wong lien ket
thong qua cdc dai Wong nhiet hod hoc.
Biet nang Wong lien ket, ta c6 the tinh duoc hieu u. ng nhiet cdc phan fing
hod hoc theo dinh lust Hess:
AH Pu = E Elk [CD] - E Elk [SP] (6-39)
Nghia la hieu fing nhiet phan ling bang tong nang Wong lien ket cua
chit ddu (chit phan ling) trti di tang nang luring lien ket cila chit san pha.'m
(chit tao thanh).
Chu y: vi quy nang firing lien ket Elk la nang ltiOng cung cap de phan
ly (phd vO) lien ket, nen a day-6 phtiong trinh 6-39, chit ddu chinh la san
phdm cua phan ling tao thanh, con san phSm 14i la chit ddu cua phan ling ay.
Doi vdi phan tit g6m 2 nguyen tit giting nhau thi nang Wong lien ket
(nang Wong phan ly) bang chinh nang Wong tao thanh nhung ngtioc
VI du, nang Wong lien ket H—H la 432 kJ/mol thi nang Wong tao thanh
H—H la -432 kJ/mol (xem Hinh 6.12).
• Bai town 1: tinh hieu ling nhiet cua phan ling:
2H2 (k) + 02 (k) -f 2H20 (k) AH °PU •
Giai: dp dung phuong trinh 6-39 va tra Bang 6.6, ta c6:
AH o = {2 x Elk [1-1-14] + Elk [02] } - 4 x Elk [0—H]
= 2 mol x 432 kJ/mol + 1 mol x 498 kJ/mol - 4 mol x 467 kJ/mol
= -506 kJ
♦Bai town 2: tinh hieu ling nhiet cua phan
HCa--c1-1 (k) + 2H2 (k) —› H3C—CH3 (k) AH °pu •
Giai: áp dung phuong trinh 6-39 va tra bang 6.6 ta c6:

261
 AH °p u = {1 x Elk [C=C] + 2 x Elk [C—H] + 2 x Elk [H—HD -
{1 x Elk [C—C] + 6 X Elk [C—H] }
= 839 + 2 x 413 + 2 x 432 - 347 - 6 x 413
= - 296 kJ
town 3: tinh nang Wong nguyen di hod (la tong nang Wong cle phd
\To tat ca cdc lien ket trong mot chgt ya cltia cdc nguyen to vg trang thdi don
nguyen tit a the khi) cho phan tit etan:
C2H6 —> 2C + 6H AH °a ?
Giai: nang luong nguyen tit hod phan tit chinh ld tang nang Wong cdc
lien ket trong phan tit, vdy:
AH a ks-2—, = 1 x Elk [C—C] + 6 x Elk [C-1-1]
= 1 x 347 + 6 x 413 = 2825 kJ
♦Bdi todn 4: tinh hieu ling nhiet cua phan
2Na (r) + C12 (k) —> 2NaC1 (r) 4Hpix = ?
Giai: sd clif3 nang Wong cua phan iing tao thanh NaC1 (r) nhu sau:
2Na (r) Cl. (k) 2NaC1 (r)

24x, (Na) E lk (CI-CI)

V
2Na (k) 2C1 (k) AH.,

211 (Na) 2E (a)

V
2Na+ (k) + 2C1- (k)
Theo quy ludt Hess, to có:
AHp„ = 24Ha (Na) + 2I1 (Na) + Elk (C1-C1) 2E (Cl) + AHm1
NInt vay, hieu iing nhiet cila phan iing (AHp„) lien he voi bien thien
Enthalpy nguyen tit hod AHa (Na) cua kim loai natri; nang Wong ion hod this
nhgt cua natri Il (Na); nang Wong lien ket cong hod tri Elk(ci-ci); nang Wong ket
hOp electron (di ltic electron) cila clo E (a) va nang Wong mang kith ion AH„ni
cua tinh the NaCl. AHml bieu thi 14c Wong tdc tinh dien, thiiang rat 18n, anh
hiiang den nhiet do nong chay, c14) cling, d'O hoe. tan cila cdc hop chit ion.
(Chu thvc ra, chinh xdc thi tat ca cd.c loai nang Wong tren deu phai
viet clued dang AH° cho moi loai. MAt khdc, bieu thfic chung cua AH 11 chi dita
p
°

ra mot tang chung, chtia chti ST den dgu cua m8i loai nang Wong).

262
1.10. Nhie't hydrat hod cila ion
Khi cho cac hop chdt ion vao nuoc, do tuong taC \Ted cac phan tit nuoc ma
cac ion bi tach khi tinh the chdt tan va hinh thanh cac ion hydrat trong dung
dich. VI du, trong dung dich NaC1 thi thuc to ton tai cac ion Na+ (aq) yd. C1-
(aq) (kST hieu aq de chi cac phan tit nttdc bao quanh mot ion tao thanh ion
hydrat). Med ion hydrat có sinh nhiet rieng Wong tit sinh nhiet cua cac chgt,
do la Enthalpy hinh thanh AHf. Dung dich luon luon trung hoa ve di'en, nghia
la s6 dien tich &tong va am bang nhau. Do do bang con &tang nhiet dicing ta
khong the biet duoc sinh nhiet ctoi vdi m6; i ion tach rieng. Ngudi ta phai dua ra
ctinh nghia ya quy uoc de tim duoc AHf bieu kign.
Sinh nhiet tieu chudn AH °f cua mot ion hydrat hod la hieu -ang nhiet khi
chuyen 1 mol ion (6,022.1023 ion) hinh thanh tit don ch'dt d trang thai tieu
chudn vao dung dich nuoc a 25°C (298°K).
De có chudn so sanh, ngitdi ta quy Ude:
Sinh nhiOt tieu chuein cela (aq) 1).ing 0. Tit day có the tinh duoc gia tri
sinh nhiet tieu chudn cua cac ion hydrat khac. Tuy khong phai la gia tri tuyet
nhung khi da biet sinh nhiet tticing deci cua mtii ion hydrat ta de dang tinh
dttoc nhiet hydrat hod cua cac hOp chgt trong qua trinh hod tan theo nguyen
tac tinh hieu itng nhiet cua phan ling dua vao sinh nhiet. Bang 6.9 la sinh
nhiet tieu chudn cua mot so ion hydrat hoa.
Bang 6.9. Sinh nhiOt tieu chugn AH °f caa mot s6 ion hydrat hoa

Ion AH °f (kJ/mol) Ion AH °f (kJ/mol)

H+ (aq) 0 OH- (aq) -229,94
Na+ (aq) -239,66 S042- (aq) -907,51
Sr' (aq) -544,51 Cr2072- (aq) -1461
Zn2+ (aq) -152,4 P043- (aq) -1266
Ar+ (aq) -524,7
Sau day la vai vi du van dung.
♦VI du 1: tinh sinh nhiet cua ion OW (aq) khi biet phan ling:
(aq) + OH- (aq) —> H2O (1) + aq có AH °U= -55,9 kJ/mol
va sinh nhiet ciia H2O (1) la AH (H20) = -285,84 kJ/mol.
Giai: theo phitong trinh 6-37, ta co:
AH °p, = Afq (H20) — [H+ (aq)] + c [OH- (aq)]}
AH ;
-55,9 -285,84 0
kJ/mol kJ/mol kJ/mol kJ/mol
\Tay, AH (f) [OH- (aq)] = -285,84 kJ/mol + 55,9 kJ/mol
= -229,94 kJ/mol

263
 ♦Vi du 2: tinh nhiet hoa tan AHht cila cac qua trinh sau:
H20
a/ NaCI (r) Na+ (aq) + Cl (aq) AN, ?
Bie't sinh nhiet AH
-411,1 -239,66 -167,46
kJ/mol kJ/mol kJ/mol
Giai: c6 the vie't ngay cac gia tri bang so/ theo philong trinh 6-37:
AHht = [-239,66 + (-167,46)] — (-411,1)
= 3,98 kJ
V'ay qua trinh hoa tan NaC1 vao nitric la thu nhiet (vi AH > 0), nhting
khong ion.
H2 0
b/ NH4NO3 (r) NH: (aq) + NO,- (aq) AHh, ?
Bie't sinh nhiet AH
-313,1 -80,83 -206,57
kJ/mol kJ/mol kJ/mol
Giai: vie't bang s6 theo philong trinh 6-37:
AHht = [-80,83 + (-206,57)] — (-313,1) = 25,7 kJ
V'ay qua trinh hoa tan NH4NO3 vao mi6c la thu nhiet (vi AH > 0), dung
dich se lanh di khi hoa tan.
0
c/ NaOH (r) H2 Na+ (aq) + OH (aq) AN, ?
Bigt sinh nhiet AH (f) :
-425,609 -239,66 -229,94
kJ/mol kJ/mol kJ/mol
Giai: cling nhit cac vi du tren, to vigt:
AHht = [-239,66 + (-229,94)] — (-425,609) = -43,991 kJ
Va'y hoa tan NaOH vao nUOc la mot qua trinh Aft nhiet manh (vi AH <
0), dung dich ming len.

2. VAN DUNG NGUYEN LY II CUA NHIET DONG HOC DE XET CHIEU

HU'ONG VA GIIJI HAN CfJA CAC QUA TRINH HOA HOC
Ni dung cila phan 1 la 4n dung Nguyen 1ST I ciia Nhiet Ong hoc trong
nghien cfiu hieu ling nhiet cua cac phan ling hod hoc va mot so bign ctoi vat 1ST
nho thigt lap dude nhung mei quan he Wong ctucing gifia cac dang nang Wong

264
(n8i nang, nhiet va cong). Theo do, ta có the xdc dinh hieu Ting nhiet
cua cdc qud trinh d bdt kST trang thdi nhiet cling nao cua. he. Tuy nhien, khi
van dung Nguyen 1ST I, chimg ta chtia tim dtioc lcli giai ddp cho cdu phan
ling hod hoc xay ra theo chieu hiking nao, den miic clo nao, va khi nao thi diing
lai slat trang thai can bang. Chi khi ap dung Nguyen 1ST II vao hod hoc thi cdu
tra loi moi thdt ro rang.
2.1. Entropy (S)

2.1.1. Qua trinh to dien biert vet khong tti dien biert
Trong tai nhien, c6 the chia cac. qua trinh thanh 2 loai:
* Qua trinh tu' dijn bier' (Om nhiing bign d6i hod hoc, bign d6i vat 1S7
ho;ac cldn gian chi la ski thay cloi vi tr.° la qua trinh trong nhang digu kien nhdt
dinh tai no xay ra ma khong can tiep them nang Wong lien tuc tit ben ngoai
vao he.
VI du, nu& tit chay tit ch'6 cao •xu6ng ch6 thdp; nhiet tit truygn tit vat
nong sang vat lanh; cac khi tit khuech tan tit chCI co /Aug do cao den ch6; neing
do thdp; chi can mot luc nh6 ban ddu day quygn sach d'at d mep ban, no tit roi
xu6ng san nha; ntidc tit ding dac d ap sudt latm va -5°C; mot tia lira chasm
ngoi lam ca khoi gas tt.i b6c chay den ding Wen thanh CO2 va H2O; v.v...
* Ngtioc lai, quci trinh khong dijn bie'n la qud trinh khong the tit thing
xay ra neu he khong &toe cung cap nang piing lien tic to ben ngoai.
Vi du, phai ton nang Wong lien tuc de nho may born dua nuoc len cao;
can tieu ton cong de nen kill; quyen sach dtidi san nha khong tit "nhay" len
mat ban neu ta khong mu6n ton cong nhat no len; trong digu kien thong
thuang, CO2 va H2O khong the tt..i kgt hop vdi nhau cle tao thanh hydrocarbon
va oxy, tile la khong the ellen ra theo chieu nghich cua phan itng chdy gas; cdc
loai gi sat khong the 41 cling tra vg sat kim loai; v.v...
Qua trinh tit dign hien có cdc d4c diem:
- Tit xay ra ma khong can ngoai lift, nghia la khong can tieu thu cong to
ben ngoai. Ngtioc lai, no có the san ra cong có Ich (dieu kien nay dtioc lam
rod nhiing phdn. sau).
- Ttt dien hien khong nhdt thiet la qua trinh xay ra ngay ldp tile, ma la
neu có du thai gian no se tit dign ra vdi mot tic d8 xac dinh. CO the can
mot it nang Wong ban &du de gilip qud trinh xay ra (vi du, mot ddy
nhe cho quygn sach rai khoi mep ban; mot tia lira chain ngoi de kill gas
chdy; mot s6 photon nang Wong hv kith thich cho phan itng ddy chuygn
gitia hydro va clor tao ra HC1), nhttng khi qua trinh bdt ddu, no se ti6p
tuc ma khong can ngoai lttc nita, bdi vi nang Wong &foe giai phong se
duy tri cho tien trinh ttt dien Men.
- Qua trinh da tti dien hien theo mot hang xdc dinh thi khong the ttt dien
hien theo chieu •ngtioc lai. Mu6n thip hien chieu nghich cua qud trinh,
can tieu thu tong tit ben ngoai.

265
 - Da scam hay muon reii qua trinh ti din hien cang ditng lai va dat trang
thai can bang. Khi d6 lUc gay ra bi6n d6i se can bang lan nhau trong he,
vat chat c6 sit bien d6i vi mo hai chieu voi t6c de bang nhau. He 6 trang
thai can bang ben (vi du, trong co hoc la hOn bid 116 the nang; trong hoa
hoc la can bang cila phan itng thuan nghich).
2.1.2. Nhiing han the cact Nguyen l31 I trong du docin chieu hitting caa
qua trinh
* Nhit da quy itOc, cac vat khong thuec thanh phan cila he la cac vat xung
quanh (moi trithng xung quanh). Khi van dung Nguyen 1ST I, ta c6 phitOng
trinh 6-5:
AE Tang = AE
AE Moi tinfong =
Tit d6 suy ra tang nang Wong ciia vat chat (vu tru) la met hang s6 va
bang nang tong cila he cong vdi nang Wong cua moi tritang xung quanh:
E Tong = E E MOi tntang (6-40)
Tit phitong trinh (6-3):
AU = Q + A
ta hien rang, nhiet hoac cong ma he thu &toe chinh la do raj trang
xung quanh mat di, va ngitoc lai. Tit dO, ta c6 the vi6t:
Q He -Q Moi tniang VA A He = -A Moi trang (6-41)

Cac phtion.g trinh tren day cho y nghia tang quat: tang nang Wong elm
vat chat la met hang s6, nang Wong khong tit sinh ra va cling khong bi6n mat
(hoac theo cach phat bik mdi cho dinh luat bao toan: tong kh6i litOng va nang
Wong cua vu tru là met hang so).
*,Tit nhung pinking trinh suy ra tit Nguyen 1ST I, lieu c6 tim &toe tieu chi
nao de du doan chieu hitting cua cac qua trinh la tit dien hien hoac khong tit
din bi6n?
Trong he cd hoc, qua trinh tit dien
bi6n theo hitting dita he d6n tieu ve
the nang. VI du, hen bi tit lan tren mat
nghieng tit vi tri 1 (Hinh 6.14), the
nang qua no tilt& tien chilyen thanh
deng nang cua chinh no clang lan va sau
2
do la nhiet toa ra xung quanh do ma sat
tao thanh chuy6n &Ong nhiet cua cac Hinh 6.14. Hon bi Ian tit vi tri
phan vi tri 2 (h6 the nang) hon bi 1 dgn vi tri 2
dat ditoc trang thai can bang ben iing
\Rai ctic tieu the nang cua no.

266
 Neu suy luan -Wong tit, di nhien ta dit kien rang, cac qua trinh hoa hoc
phai tit diAn hien theo chieu giam not nang ciia he. Theo Nguyen 1ST viing ben
(Chilling II - Cau tao nguyen tit), trang thai co ban (trang thai ben) ciia
nguyen tit, hoac khi hinh thanh phan tit thi he c6 nang Wong thap nhat, nghia
la he 6 the nang tits tieu. Khi xem xet ngu6n go-c cua hieu itng nhiet (muc 1.3)
ta cling da ket luan rang, 6 cac phan ling toa nhiet (AH < 0) the nang cua cac
- lien ket (Up (lien ket) cua cac san pham nh6 hon the nang cua cac lien ket trong
cac chat phan ung, nang luong chenh lech dvoc giai phong ra khoi he.
Enthalpy H là dti trit nang Wong toan be cila he, c6 the xem la the nang cua
cac he boa hoc. Do do suy ra, cac phan ling toa nhiet (AH < 0) deu la nhfing
qua trinh htidng toi tilt tieu the nang va la tit din Men. Ngtioc lai, cac phan
ung thu nhiet (AH > 0) la khong tit din Eden, vi qua trinh can dtioc cung cap
nang hiong lien tuc tit ben ngoai.
Tuy nhien, thvc to xay ra cac qua trinh hoa hoc, va ngay ca cac bien d•Si
vat 1ST cUa he Om met se len phan tit lai khong hoan than dung nhit \Tay.
Chung ta co the (fan chling rang AH va dau dia. no (- hoac +) khong phai la
met chi tieu day di de xet chieu hueng ciia qua trinh tit din Men hay khong
tv dien Wen.
Dung la c6 rat nhieu phan ling tit din hien. la toa nhiet (AH < 0), vi du:
Phan ling chay cua nhien lieu:
CH4 (k) + 202 (k) —> CO2 (k) + 2H20 (k) AH PU -929,63 kJ
=

Phan ling oxyd boa sat trong tit nhien:

2Fe (r) + 3/202 (k) --> Fe2O3 (r) AH ° = -826 kJ
Natri kim loaf va khi clor tit phan ling a clang va toa nhiet:
Na (r) + C12 (k) —> NaC1 (r) AH °N, = -411 kJ
Trong rat nhieu trtiong hop khac, dau cua AH khong coy nghia, vi du: 6
dp suat thitang, nit& dong slat ditoi 0°C va chay ra tren 0°C, ma ca 2 qua trinh
deu tit din Wen vdi AH cling tri s6 nIning ngttdc dau:
H2O (1): -p H2O (r)AH° = -6,02 kJ
H2O (r) --> H2O (1)AH° = +6,02 kJ
nhiet de phong va alp suat thvang, nu& bay hoi tit nhien vao khong khi
kho va la qua trinh thu nhiet:
H2O (1) —> H2O (k) AH° = +44,0 kJ
Tat ca cac qua trinh nong chay, bay hdi la thu nhiet nhting van la tit din
bien dtioi nhung digu kien thich hop.
Lai c6 nhom phan ling mang tinh chat ciia bien deii vat 1ST, nhti qua trinh
hoa tan ciia cac muei trong ntidc, tham chi hau het la thu nhiet, nhting van la
nhiing qua trinh tit dign Wen, vi du:

267
 H20 AFC= +3,98 kJ
NaC1 (r) > Na+ (aq) + Cl- (aq)
H0 Alt= +47,7 kJ
RbC103 (r) Rb+ (aq) + C103- (aq)
Nhieu bien d6i hod hoc thuc thu c6 AH > 0 nhUng hoan toan là ttt din
Bien, vi du:
N205 (r) —> 2NO2 (k) + 1/202 (k) AH °L +109,5 kJ
W =

Ba(OH)2.8H2 0 (r) + 2NH4NO3 (r) --> Ba2+ (aq) +

2NO3- (aq) + 2NH3 (aq) + 10H20 (1) OH °pu = +62,3 kJ
(e) phan Ung sau ding, nuac &toe tech ra tit cac ion hydrat hod. Hem hip
phan khong kip hap thu nhiet tit moi tracing xa xung quanh nen da hap
thu nhiet tit chinh no, lam cho hoi nitric dm tren d6 bao g6i &mg bang).
Neu }Wang tai eqc tieu the nang la deng lttc cile moi qua trinh tu din
Bien thi tat ca cac phan tit trong thanh phS.n cue khong khi bao quanh trai dat
deu rdi xu6ng mat dat, cac mu6i hoe tan trong nitric bier' deu ket tUa xu6ng
day bien, bai vi mat dat va ddy bien la h6 the nang cue eh-Ling. Si/ that khong
xay ra nhii \Tay.
Nguyen 1Y.huang tai ctIc tieu not nang dOi hai moi phan itng phat nhiet
sten tan ding, -bac la khong con phan itng thuan nghich, nhung thuc t6 nhieu
phan 'tang thuan nghich van ton tai. Trai lai, cling c6 nhieu phan itng trong
nhang dieu kien xac dinh, chi xay ra theo met chieu xac dinh, cho du cung cap
tra lai du so nang Hiring ma phan 1mg da giai phong khi tu din hien v6 the
nang clic tieu (dieu do diking nlya mau thuan vii Dinh lust bao toan nang
Wong, bai vi theo dinh lust nay - Nguyen 1.5r I - neu so nang Wong bit dap dung
bang s6 nang Wong da mat di thi he phai tra ve vi tri ban da.'u, tfic la luon loon
phai c6 khi nang xay ra phan Ung nghich).
Mut vay, khuynh hiking giam the nang, tifc la giam Enthalpy cUa he,
chita du xac dinh chieu tit din hien dm qua trinh. Ngoai yeu to Enthalpy,
chic than con met yeti to khac nits cling tic Ong len chieu hitting xay ra cac
bien d6i.
Co nhan to chung nao tao ra sik ton tai cua cac qua trinh thu nhiet ma
van tit dien bien, nIrti met so vi du da neu tren? Ro rang cac qua trinh chuyen
pha da chuyen eau truc c6 to eh& cao thanh can frac kern to chfic hon: ran —>
fang va Fang --> khi. Sit hoe tan cac mu6i da chuyen tinh the chat ran va chat
Lang tinh khiet thanh cac ion phan tan trong dung dich. Cdc phan 1.1/* hod hoc
(nhu 2 phan ling cal ding duct viet duai ding phuong trinh day dud loan
tren) da chuyen chat rain thanh chat 1(111 va/hoac cac ion phan tan tu do. CS tat
ca cac vi du vita ke (deu là nhung qua trinh tu xay ra va thu nhiet), vat chat
bien d6i tit trang thdi co tinh trot tu cao sang trang thai c6 tinh trot tit kem
Ilan. day da goi and met dau moi cho chUng to biet cai gi lam cho cac qud
trinh la tit phat. Szt . thay doi tinh trcit tu' let nhti n to quan trong de xac dinh
chieu huYing dat qua trinh tu' dijn

268
 2.1.3. Entropy viz Nguyen lY II clia Nhiet dOng hoc
* Xu hitting tra nen vo trdt tu
Xu hitting tra nen vo trdt tu.dien ra xung quanh ta. MOt cai ilia sit rdi va
thanh nhieu manh khong theo this tu nao; do dac trong phong, ngoi nha ta a
sau mot thai gian tra nen 18n x8n, hit hang; sach va cac he may tinh trong that
vien cua mot tracing dai hoc tra nen be b8n sau mot ngay boat dOng, va nhieu
vi du quen thu8c khae. Muo'n dan lai cac manh va cua dia sit; muo'n sap xep
can phOng trdt tit hoac siia chita nhiing ch6 hang nat cua ngoi nha; muo'n sach
va cac he may tinh tra lai ngan nip, deu doi hai phai thuc hien ding. Vi sao xu
hitting tit nhien cua cac he thong la tra thanh vo trdt tu? He giai thich dinh
tinh quy ludt do, ta hay quan sat them.
Gia sit cac mieng lap hinh trong h8p trO chili lac ban dau dudc 'cep trot tit
va tao thanh mot hinh. Ne-u ta lac h8p, cac mieng lap hinh se dude xep lai theo
mot cach khdc khong con trot tu. Cang lac h8p cac mieng lap tang tra nen 18n
xon, khong con tao thanh mot hinh nao niia, vi mot 1y do ddn gian la c6 nhieu
each xep vo trot tu hdn. Nhit vay, vo trot ttt cua cac manh, ding vdi thai.gian,
se c6 nhieu xdc suat tang len, neu ban dau thong a trang thai c6 trot tit cao.
Chung ta phan tich them ST nghia cua sit trot tu ti mot 138 bai chili. Ban
dau, trong 138 bai mai chtta sit dung, cac con bai diicic sap xep theo this tu be
mat. D6 la ski sap 'Cep c6 trot tu rat cao. Khi trao bai, hoac tung 13.8 bai len rai
gom lai, bo: bai tra nen sap xep khong con thit tu. Kho'i Wong, the tich cua h8
bai va dien tich naii con bai khong thay doi, nhung trot tu ban dam khong con
nfia. Ngitai ta tinh rang c6 khoang 10' each sap xep khac nhau cho 52 con bai
va kha nang xuat hien cho mg5i each sap xep ay la hoan toan Wang dudng
nhau. Cach sap xep trot tu cao ban dau hau nhu khong bao gid fres lai neu tit
tiep tuc trao bai mot cach ngau nhien, ddn gian vi s6 each sap xep vo trot tit la
vo clang lan.
Cdc he thong vat 1ST va hod hoc bao gam mot s6 kh6ng l8 cac phan tit
(nguyen tit, phan tit, ion) thi sit thay d8i tit trang thai c6 this tu sang trang
thai khong this to xay ra mot each tit nhien - tit di'en hien, vdi ding 1y do: sap
xep vo trot tu c6 nhieu kha nang hdn sap xep c6 trot tu. Cac nguyen tit, phan
tit, ion c6 nhieu each sap xep c6 the c6 trong he vo trot tu hdn la trong he c6
trot tu.
He xet xu hitting tramen vo trot tit anh hang nhu the nao den phan ling
hod hoc, tritoc het ta quan sat mot he vat 1Y. Gia sit ta c6 mot binh than khong
hai dau troll c6 cling the tich dude not vdi nhau qua mot 6ng dot khod a gifia
(Hinh 6.15).

A
Hinh 6.15. St/ gian nä cua khf là tct din bign

269
 Hay bdm vao dau tron A ben trai khi neon dgn Ai) suat 1 atm. Khi ta and
khoa d gala, khi se phan 136 clang dgu trong ca 2 dau tron, do vay ap suat moi
ben crau 6ng se là 0,5 atm. Day la kgt qua. ta mong deli trail cc; sa kinh
nghiam. Nhiing vi sao khi lai di chuyen theo cach nay ma khong ditng nguyen
dau A nhil khi mai born. vao? (nho rang not nang ciia khi loang khOng phu
thuac vao do loang cua no vi khoang each trung binh giiia cac phan tii khi rat
lan). RS rang rang, sit di chuyen ngau nhien cua khi den-1g dgu vao ca hai dau
tron da cho phep cac phan tii phan 136 trong the tich gap doi, theo do se tao ra
rat nhidu each da cluing sap xgp, lap day trong khong gian len cua toan ba
binh hdn la chid mat phan han chg.• Du doi bao lau, cluing ta ciing se khong
bao gia tim thay tat ca Wong khi neon tap trung ben dau troll ben trai mat ran
Tham chi thi nghiam chi vai 10 nguyen tii Ne, kha nang cid/1g lai hien
Wong do vao khoang 1000 cho 1, con ngu la 1 mol khi thi kha nang la khoang
102x1023 cho 1 (cac con so nay co the tinh dtioc de dang khi dg cap dgn khai
niam xac suat nhiat dang d phan sau).
Ngu van sii dung binh thi nghiam nInt tren nhitng a m8i dau tron cua
binh cho chlia rieng nhfing the tich bang nhau cua khi N2 va 02. Khi nia khod
ngan, sau mat thai gian, ca hai khi se tron lan vao nhau va chigm toan ba the
tich caa binh vai V?' do tucing tai neu
Ski phan b6 lai cac phan tii khi trong binh kin xay ra ma khong c6 ski
thay doi toan ba nang Wong cila he, nen cac each sap xgp khac nhau la hoan
toan ttidng &king nhau.
S6 Wong cac each sap xgp nhfing thanh phan cila he c6 the dat &doe ma
khong lam thay dai tang nang tong ciia he lien quan true tigp d'en mat dai
biting goi la Entropy (S). Entropy la thztac do mac de) vo trat try cact he.
Mat he c6 it each sap xgp ttidng chfOng nhcing thanh phan cua no, vi du
nhil mat tinh the nuac da, mat ba' cac con bai duoc xgp this tai, c6 miic d vo
trat tai nha va Entropy thap. Mat he c6 nhigu each sap xgp tudng (Wong, vi du
nhU hoi nuac, mat ba cac con bai de lan xan, c6 nific do vo trat tu len va
Entropy cao.
Khi nang Wong cila he tang, cac thanh phan ciia he c6 clang nang trung
binh tang nen chuyen clang han loan hen, nang Wong cila he phan b6 rang
hdn, do do:
trat tai > Strat tai (6-42)
Thong tu not nang va Enthalpy, Entropy la mat ham trang thai cila he,
no chi phu thuac vao trang thai hien tai cila he, khong phu thuac vao qua
trinh ma he dat &foe trang thai ay nInt thg nao. Do do bign thien Entropy cila
he (AShe) chi phu thuac vao gia tri dau va cuol cila he. Vi cac tieu phan khi
chigm linh ca 2 dau tron cua binh thi nghiam dat duoc nhigu each sap xgp
hdn, Entropy cila he tang, nen AShe la &tong (Seal > SdAu). Ngu cac tigu phan
khi a 2 binh cau chuygn Ong vg mot binh cau chiing se co it each sap xgp hdn,
do do Entropy cila he giam, AShe mang dau am (Seu6. <

270
 Bien d6i ve trat tart xay ra nhu the nao, bang nhang con &tong nao cac
tieu phan dttoc sap x6p lei, va cai gi khong lam thay d6i dttoc dau hoac d6 lon
cua AShe? Chung ta se thao luan ti6p nhiing cau h6i nay.
* Tr6 lai cau hOi co ban: cai gi quye't dinh chieu cua mot bie'n d6i tki phat?
Nhtt da they, xu hitting tkt nhien cua cac he thong la tra nen h6n loan, ski phan
be; cac tieu phan hating vg vo trat. tart. Xu hitting tart nhien la chi tieu de suy
luari, flint/1g de dp dung, chung ta can xem xet toan dien hon. Wit s6 he tart
phat tr6 nen kern trat tsar (nong chay cua nude da, hos tan cac tinh the) va mot
s6 he khac lai tear din bie'n ve trat tart cao hon (star dong dac cua nItOc, ski lon len
cua cac tinh the). N6u quan sat v6 ca hai phia he va moi trttong xung quanh,
chung ta phat hien ra rang tat cd cac qua trinh xciy ra tr.! phat deu lam
tang tong Entropy cact vu tru (gem he + moi tru'ang xung quanh). Day
la cach phat bieu Nguyen 1ST II cila Nhiet d6ng hoc.
Chu ST la Nguyen 1ST II khong hen ch6 vao star bie'n thien Entropy cila he
hoac cua moi trttang xung quanh, mot trong hai c6 the là am. Song, quy lust
cho thay: voi mot quci trinh tit phcit, tong bier' thien Entropy phcii ld du'cing.
N6u Entropy cilia he giam (AShe < 0), Entropy cila moi trtiOng xung quanh se
tang len, them chi tang honnhieu (ASmoi tniang » 0), va flint vay t6ng Entropy
vu tru (he tong moi trtiong xung quanh) tang (ASto,ng > 0). D6i voi bat kS7 qua
trinh tear Oat nao cang phai tuan theo bieu thfic dinh Wong cila Nguyen 1ST II:
ASt6ng = AShe + ASmoi trvang > 0 (6-43)

2.1.4. laic dinh tri so Entropy trong he va moi tutting xung quanh
Trong Nhiet d6ng hoc, ngttc3i ta goi s6 cach sap x6p cac phan tit trong mot
he (ma khong lam thay d6i tong nang Wong cila he) la xac slat nhiet Ong, kST
hieu W, de dac trttng dinh Wong cho thfic do vo trat tear cua he d6. M6i cach sap
x6p dttoc goi la mot trang thai vi m6. Vay xac suet nhiet dong W la t6ng s6 cox
trang thai vi mo c6 the c6 Wong fing voi mot trang thai vi m6 cila he. Vi trong
nhfing Wong vi mo cua chat,s6 hat la vo ding lon, nen xac suet nhiet d6ng W
la mot s6 rat 16n (khac voi xac slat toan hoc chi c6 gia tri dao dOng gifia 0 va
1). W tang 16n, 1-6 rang Entropy S cua he tang tang. Nam 1877, Boltzmann
(Ludwig Boltzmann, nha toan hoc ngtfai Ao, 1844-1906) mieu to moi quan he
giiia Entropy va xac suet nhiet d'6ng qua phLiong trinh:
S = k.lnW (6-44)
O day k la hang s6 Boltzmann bang 1,38.10'3 J/°K. Vi W la mot so khong
this nguyen nen don vi cila Entropy S la Joule/Kelvin (J/°K).
Thong thuOng Entropy dttoc tinh cho 1 mol phan tit , khi do:
S = N.k.lnW
N: so Avogadro = 6,022.1023/mol

271
 R
dan toi: S = R.1nW (vi k = — )

R: hang s6 khi = 8,31441 J/mol.°K

V437, ngu tinh cho 1 mol chat thl don vi cila Entropy mang this nguyen
cua R là J/mol.°K.
Can nha.''n manh them, phitong trinh 6-44 do Boltzmann d6 xuat dI thoa
man tinh chat "tich" cua xac slat nhi6t Ong va phii hop vdi dac tinh cua
Entropy là mot thong sec khu6ch d6 [Ngit6i ta phan bit hai loaf th6ng s6:
thong so' khzach c1-0 bao g6m cac dai Wong ti 16 vdi Wong vat chat, c6 tinh chat
"tong", vi gia tri ciia thong cloi vdi than 116 bang tang gia tri ciia chting cloi vdi
tiing phan cua he, vi du nhii khea Wong, the tich, not nang, Entropy, s6 mol...;
va tilting so- citeing d'O bao g6m tat ca cac dai Wong Oc lap vdi Wong vat chat,
mang tinh dac thu va giong nhau d bat kST phan nao cua h6, vi du nhit khea
Wong rieng, ti trong, ap suat, nhi6t N.116 do, cluing ta c6 the vie't xac
suat nhi6t Ong va Entropy cho h6 chiia n mol ciia chat A1, n2 mol ciia chat
1
A2..., ni mol ciia chat theo cac bi6u thiic:
Whe = W1•W2 • • • Wi (6-45)
va She = S + S2 + • • • + Si = Eni.Si (6-46)
* Nguyen 1ST III cila Nhi6t Ong hoc. Entropy mol tieu chuan S°
VI khong th6 laigt gia tri tuy6t do'i cua not nang U a mot digin xuKt phat
nen cang khong the bie't gia tri tuy6t cloi cua Enthalpy H ciia mot chat. Ta chi
co the xac dinh &foe bien thien AU va AH gifia hai trang thai d'au va trang thai
cuea cila h6. NgifOc lai, cluing ta c6 th6 tim &foe Entropy tuy6t dea cila mot
chat khi van dung Nguyen 1ST III cila Nhi6t Ong hoc diloc phat bi6u nhif sau:
khong do tuyet mot tinh the hoan ha() có Entropy bang
khong: She = 0 a 0°K (-273°C).
(Khai ni6m "hoAn hao" 6 day diioc hi6u là tinh th6 cua mot chat tuy6t dea
tinh khigt phai khong c6 bat kST16i nao trong cgu frac not tai caa no).
Nhit vay, Nguyen 1ST III thiia nhan rang C'S khong do tuygt d6i, tai do moi
chuy6n dOng &Li thing Ilan, tat ca cac tigu phan (phan tii, nguyen tii, ion)
trong tinh the cila mot chat chi c6 mot each sap xgp duy nhat tao ra mot trang
thai vi me) duy nhgt:
W=1 va. SOC K = k.lnl = 0 (6-47)
Ngu cluing ta lam nong tinh thg, tang nang Wong cac tik phan tang len
va cluing c6 mot pham vi nang Wong, vi vay cluing c6 the dttoc sap xgp theo
nhi6u each: W > 1, lnW > 0 va S > 0. Entropy cila mot chat d nhi6t d6 khao sat
IA gia tri Entropy tuy6t d6i, ttfcing &icing vdi Entropy tang len tit 0°K toi nhi6t
d6 khao sat do. Bang nhi6u each, ngtiOi ta c6 th6 xac dinh gia tri tuy6t dea cua
Entropy S cua bat IcST chat nao va a moi nhi'6t d6, vi du nhif qua do nhi6t dung,
do nhi6t chuye'n pha hoac dtfa vho cac dit ki6n phan tich quang ph6...

272
 Tucing tit cac bie'n s6 nhiQt dOng khac, nguOi ta thuOng so sanh gia tri
Entropy cUa cac chgt trong trang thai chuan cita chung. Vi Entropy la thong
s6 khudch dO phu thuOc vao luong chgt nen nguai ta sit dung Entropy mol tieu
chucin S° có ddn vi J/mol.°K dudexac Binh a 298°K (25°C) va ap suat 1atm.
Bang 6.10 dila ra gia tri S° cUa mot s6 chgt.
* Du doan gia tri Wong d6i S° cua he
Cj cap dO phan tit, chang ta có thd di doan Entropy cila mot chgt chin
anh hungnhu the nao bi3i nhidt dO, trang thai vat VT, sit hoa tan va c'au trac
phi c tap claa phan tit ho'ac nguyen tit (Cat ca cac gia tri dila ra trong cac vi
du &Rh day ddu lay ddn vi la J/mol.°K).
Bang 6.10. Gia tri Entropy mol tiou chugn S° cua mot s6 chgt
298°K (25°C) va ap suat latm
Chit hoic ion S° Chit hoic ion S°
(J/mol.°K) (J/mol.°K)
Ag (r) 42,702 H2 (k) 130,6
Ba (r) 62,5 H+ (aq)
0
Br (aq) 80,71 H2O (k) 188,72
Ca3(PO4)2 (r) 263 H2O (I) 69,94
CaSO4 (r) 107 HF (k) 173,67
Carbon: HI (k) 207,33
C (graphit) 5,686 K (r) 64,672
C (kim cu'ong) 2,439 KCI (r) 82,59
CO (k) 197,5 KCIO3 (r) 143,1
CO2 (k) 213,7 KCI04 (r) 151
CH3OH (I) 127 Li (r) 29,1
CH3OH (k) 238 Lau hu9nh:
CH4 (k) 186,1 SO2 (k) 248,1
C2H2 (k) 200,8 SO3 (k) 256,66
C2H4 (k) 219,22 Na (r) 51,446
C2H6 (k) 229,5 NaCI (r) 72,12
C3H8 (k) 269,9 Nh6m: AICI3 (r) 110,7
C41-110 (k) 310,0 N2 (k) 191,5
C6H6 172,8 NO (k) 210,65
Cs (r) 85,15 NO2 (k) 239,9
Cu (r) 33,1 N204 (k) 304,3
F- (aq) -9,6 NH3 (k) 193
F (k) 145,47 02 (k) 205
03 (k) 238,82
Rb (r) 69,5

273
 a / Ste thay ddi nhi0 di): del vai met chat khao sat, S° tang khi nhiet de
tang. Vi du, Entropy mol tieu chuan ciia Cu kim loaf a 273°K (0°C) là 31,0
J/mol.°K, a 295°K (22°C) la 32,9 J/mol.°K, con a 298°K (25°C) la 33,1 J/Mol.°K.
Nhtt da biet trong dinh luat phan b6 phan tit theo van t6c cilia. Maxwell
(J.C. Maxwell, nha vat lY ngtfai. Anh, 1831-1879), khi nhiet do tang s6 phan tit
khi có van t6c lan tang len. Dieu nay cang xay ra doi vai chat 'Ong va chat ran.
CO nhieu each hdn de phan 136 nang Wang cila vat chat khi nhiet 4 tang,
Entropy vi the tang len.
b I Trang thcii vat lY vet sit Nen do9i pha: khi met pha co trat tti hdn
chuyen thanh pha it trat tai hdn thi Eden thien Entropy là &tong. Doi vdi met
chat nhat dinh, S° tang khi chat chuyen tit ran sang Fang r8i sang khi:
Na H2O
(r hoac 1) 51,4 (r) 69,9 (1) 5,7 (graphit)
(k) 153,6 188,7 158,0
Hinh 6.16 cho thay con &tang hien dei trang thai cila met chat dien hinh
ma no phai trai qua khi bi dun n.ong. Hay dill y kie'u tang dan Entropy c1 mot
pha khi tang nhiet do va kieu tang dot net khi chuyen pha. Chat ran có tinh
trat tit cao nen Entropy thap nhat, cac tieu phan ciia,no chi dao clang quanh
met vi tri. Khi chat ran /long chay, cac tieu phan chuyen deng tit do trong chat
khei long nen Entropy tang dot Nen. Tiep tuc dun ming lam tang dan t6c de
cac tieu phan trong pha Fang, Entropy tang tit tit. Cu6i ciing thi Entropy tang
manh va dot net khi chuyen tit fang sang khi vi giita cac phan tit mat het kha
nang lien ket va khi chiem toan be the tich ciia he. Su tang Entropy khi
chuyen tit long sang khi kin hdn rat nhieu so vai khi chuyen tit ran sang long,
to vi6t Sk >> S, > Sr (6-47a)

Khi

Entropy
hob hdi

Entropy
n6ng chey

Nhiit d6 Ftin
n6ng chay Nhig
.7 sal

Nhiot d6

Hinh 6.16. Sv tang Entropy tit ran sang Icing va sang khi

274
 Bigu d6 cho thay Entropy tang tit tit theo nhiet dod mot pha duy nhat va
tang d6t ng6t khi chuygn tit pha nay sang pha khac. Vo trat to tang khi chat
ran nong chay thanhl6ng va dac biet khi chat 16ng bay hdi.
c/ Su' hoa tan chat rein hodc chat lOng: Entropy cila chat ran hoac chat
lOng khi hoa tan 16n hdn nhigu so v6i chat tan hic con nguyen chat. ei day, tuST
thu6c vao dac tinh cila chat tan va dung moi hoac tuST theo ban chat cila qua
trinh boa tan ma Entropy chung bi anh hitting, vi du:
NaC1 A1C13 CH3OH
S° (r hoac 1) 72,1 (r) 167 (r) 127 (1)
S° (aq) 115,1 . -148 132
Khi hoa tan tinh the ion vao nttdc, cac ion duoc hydrat hoa va tach r6i
nhau, cat' tnic trat tut cao trong tinh thg bi pha huY), Entropy cila cac ion trong
dung dich tang len rat nhigu so vali trong tinh the. Entropy cila dung moi cling
can duoc xem xet. Gia tri S° am cilia mot s6 ion nhieu dien tich c6 the xay ra, vi
cac phan tit nu6c tra nen trat tit cao xung quanh chting. VI du, ion Al'(aq) c6
S° bang -313 J/mol.°K, nlat thg A1C13 hoa tan vao ntioc lam giam Entropy
chung cUa dung dich so ye:1i trong tinh the (S° cua mot ion hydrat c6 thg là am
vi no lien quan den gia tri 14+(aq) dude qui Lt6c bang 0. Noi cach khac,
Al3+(aq) c6 Entropy thap hdn 1-1+(aq)). V6i chat tan la tinh thg phan tit nhu
glucose, Entropy tang khi hoa tan thueng rat nhO vi khong c6 stt phan ly
thanh ion. Vdi chat tan la chat 16ng nhu metanol thi khong can pha huS7 tinh
fhg khi hoa tan, lion nita giita cac phan tit metanol va cac phan tit Int& con
tao cac lien kgt hydro, do do sit bign dgi d6 tki do trong chuygn Ong cua cluing
tang nh6 be, nen Entropy tang khong clang kg, chi tufting ling v6i cl(s) vo trat ttt
do tr6n ran hai loci phan tit v6i nhau.
d I Su hod tan cact khi: chat khi ban ddu la vo trat to se tra nen trat tit
hdn khi no hoa tan vao chat lOng 'hoac chat ran. Vi vay, Entropy cita chat khi
trong chat 16ng hoac trong chat ran luon luon nh6 hdn Entropy cila khi
nguyen chat. Khi khi 02 [S°(k) = 205,0 J/mol.°K] hoa tan vao rat6c, Entropy
cila no giam xugng d6t ng6t [S°(aq) = 110,9 J/mol.°K]. Khi hoa mot chat khi
vao trong mot chat khi khac, di nhien Entropy tang vi do la si tr6n Pan hai
loci phan tit ding kigu sap xgp.
el Cdu trac pha'c tap cact nguyen tit hoac phan tic': not chung, su khac
nhau ve gia tri Entropy ciia cac chat ding pha la do d6 lon cua nguyen tit va
do phiic tap cila phan tit gay ra. Dgi v6i cac nguyen to ding phan nhom, do
kligi Wong mol tang d'An nen Entropy 16n dam:
Li Na K Rb Cs
Klai-luting mol (g/mol) 6,941 22,99 39,1 85,47 132,9
S° (r) 29,1 51,4 64,7 69,5 85,2

275
 Xu Inking do van duy tri trong cac hop chat tudng d6ng, nhii:
S'cF, (k) = 261,5 J/mol.°K
S cl o (k) = 309,7 J/mol.°K.
P61 viii cac hop chat, mite dO plific tap hod hoc tang, nInt so nguy8n tit
hoac ion trong hop chat tang nhigu, clan dgn Entropy tang. Xu hiking nay
dung cho ca cac hop chat ion va ca hop chat Ong hoa tri chitng nao cluing van
cling mot pha:
NaC1 A1C13 P4010 NO NO2 N204

S° (r) 72,1 110,7 229

(k) 211 240 304
Tit cac nitd oxyd o vi du tren, to con nhan thay xu higing lam tang
Entropy do tang s6 each dao clOng c6 thg duoc cua cac nguy8n tit hoac ion
trong hop chat, theo do ma pham vi nang Wong cua chUng duoc phan 136 rOng
hon (Hinh 6.17).

NO •2a7a22 • NO2 .51 N204

Hinh 6.17. Entropy va dao dOng cua nguyen tit

Phan tit hai nguyen tit nlat NO chi có mot cach dao dOng (xa hoac g'an
nhau lai), NO2 có nhigu cach dao Ong hdn, con N204 có so cach dao dOng
nhigu hdn niia. Mut vay, s6 nguyen tit tang, phan tit c6 the phan b6 nang
Wong dao dOng ciia no theo nhigu con &tang, clan sign Entropy cila phan tit
tang len.
Onhang phan tit 16n, ngoai dao &Ong nguygn tit con có chuygn d6ng quay
ttidng d6i giita cac phan cau tao. Chuoi hydrocarbon dai có the quay va dao
dOng theo nhigu cach hdn là chu6i ngan, do do Entropy tang theo clo dai cua
MOt hop chat \Tong, nInt cyclopentan (C5H10) có Entropy nhO hdn hop
chat chu6i thong có ding so carbon nhu pentan (C5H12), bdi vi eau tao vong
lam han chg stichuygn Ong quay va dao &Ong cua phan tit. Vi du:
CH4 (k) C2H6 (k) C31-18 (k) C4H10 (k) C5H12 (k) C5H10 (k) C2H5OH (1)
S° 186 230 270 310 348 293 161
Nh6 rang cac xu hitting kg tren chi dung cho cac chat ding trang thai vat
1ST (clang pha).

276
 Chd Sr nUa la metan (CH4) dang khi có Entropy lon hdn Entropy cila
metanol (C2H5OH) clang lOng cho du phan tii metanol phiic tap hon. Khi so
sanh cac chat khi voi cac chat lOng thi anh hvOng cua trang thai vat IST tIniong
chie'm vu the hdn do phiic tap cila phan
♦Bai tap van dung: hay chon met chat c6 Entropy cao hdn trong moi cap
dV6i day va giai thich cho si Iva chon
a. 1 mol SO2 (k) hoac 1 mol SO3 (k)
b. 1 mol CO2 (r) hoac 1 mol CO2 (k)
c. 3 mol 02 (k) hoac 2 mol 03 (k)
d. 1 mol KBr (r) hoac 1 mol KBr (aq)
e. Nv6c bien giiia mica &Mg (5°C) hoac nvoc bien gfiia mils. he (25°C)
g. 1 mol HF (k) hoac 1 mol HI (k)
Quyet dinh lila chon va lai giai
a. 1 mol SO3 (k). Clang s6 mol chat, cac loaf nguyen tit nhii nhau, lai ding
trang thai vat 1ST, nen phan tit cluiia so nguyen tit nhieu lion se do Entropy 16n hdn.
b. 1 mol CO2 (k). Doi v6i met chat nhat dinh, Entropy tang theo trinh tV
r < I< k.
c. 3 mol 02. Hai mau dva ra de lva chon c6 clang so nguyen tit oxy nhiing
khac nhau so phan tit. Mac du ozon (03) co cKu true phan tit phiic tap hop
nhvng 3 mol cac hat van có nhieu each sap xe-p de c6 nific do vo trat ti lon hdn
la 2 mol.
d. 1 mol KBr (aq). Hai mau dva ra cle lva chon c6 ding so ion, nhvng
trong chat ran chUng sap xe-p trat tV, con trong dung dich thi chUng phan tan
1-16n den.
e. NV& bier' mica he. Entropy tang khi nhiet de tang.
g. 1 mol HI (k). Doi \Tod nhUng hop chat clang loai, Entropy tang theo kheii
lvong mol.
* Tim bik thien Entropy dm met phan iing
Tren co sa nhang y Wang eta trinh bay tren, do the rut ra he qua: khi x
mol chat phan ling (chat dau) c6 tinh trat tit hdn tao ra x mol san phdm c6 trat
tit kem hdn, phan ling se c6 bien thien Entropy diking ASp, > 0. Digu do clang
clan den ket qua la ne-u s6 phan tit khi giam trong phan iing thi ASp,, < 0. VI
du, khi tang hop amoniac tii nguyen to, so phan tit khi giam tii 4 xu6ng 2, flint
\Tay Entropy cila san pham nhO hdn Entropy cila cac chat dau:
N2 (k) + 3H2 (k) 2NH 3 (k) Asp, = SSp - S:d < 0
Tuong ttt nhv khi van dung dinh lust Hess de tim hieu iing nhiet cua
phan iing dva vao sink nhiet AHf (phvong trinh 6-37), chUng to co the tinh

277
 7
bign thien Entropy cila phan ling bang cach laytong Entropy ceta cac san
plitim, tree di tong Entropy ceta cac chat dclu (chat phan
ptr
As O = E S° [SP] E S° [CD] (6-48)

♦Vi du, vigt cho phan -tang t6ng hop amoniac phia tren, ta co:
AS °i
nt = (2mol NH3 x S NH3 ) — [(1M01 N2 x S °N2 ) (3mol H2 x S °H2 )]

Tra bang dg tim S° cua NH3, N2 va H2 ri3i dila vao bigu thfic tinh, thu duoc:
AS o J= (2mol x 193 J/mol.°K) — [(1mol x 191,5 J/mol.°K) +
(3mol x 130,6 J/mol.°K)] = -197 J/°K
Dung nhtt cta du doom ii tren, AS P ee < 0

♦Bai town: tinh AS°PtrcUa phan chay 1 mol propan a 25°C:

C3H8 (k) + 502 (k) —> 3CO2 (k) + 4H20 (1)

Giai: tilt& tien, chUng ta chl doom rang AS °p..se mang dau am vi tit 6
phan tit khi ban d'au giam xu6ng con 3 a cac chat san pham, theo do Entropy
cua phan itng giam.
Theo pinking trinh 6-48, ta vigt:
° 02 ) + (4mol. H2 O x S A 20 )] —
AS °Pee = [(3mol CO2 x S ,
[(Imo]. C3H8 x S °c3li8 ) (5mo1 02 x S °02 )]
= [(3mol x 213,7 J/mol.°K) + (4mol x 69,9 J/mol.°K)] —
[(1mol x 269,9 J/mol.°K) + (5mol x 205,0 J/mol.°K)]
= -374,2 J/°K
Thao luan keet qua: dung nhtt dki clown, AS ° 0, bai vi s6 mol khi two ra
Nr <

it hon, ma S° cua chat khi lai thuang lon hon rat nhigu so voi S° cUa chat ran
ho4c cila chat fang. Tuy nhien, di/ clown cUa chung ta se khong con dung niia
din voi cac phan fing khong có bign d6i s6 phan tit khi.
* Bign thien Entropy cila moi truang xung quanh
Nhu da thay, nhigu phan itng tit din bign, vi nhu phan fing tang hop
amoniac va phan itng chay cua propan, he tra nen trat tit hon trong digu kien
dila ra (AS °p,r < 0). DOI vdi cac truang hop nay, Nguyen 1ST II chi ra rang
Entropy cila moi trUang xung quanh phai tang len dg biz lai. ChUng ta hay
xem xet anh hang cua moi trttang xung quanh dgn Moen d6i. t6ng Entropy cila
vu tree AS,6ng (xem phuong trinh 6-43).

278
 NI& truang xung quanh có the them nhiet vao he hoac lay bet nhiet cua
he. Dieu cot lei mei trtfang xung quanh hoat deng nhu met ngutin nhiet
khong 18, lon den mite gift cho nhiet do cua no la hang dinh ngay ca khi
Entropy cua no bie'n d6i do thang giang cua nhiet (them nhiet vao hoac. bat
nhiet di tai met thai diem). 'Tay mei tniang xung quanh chia se nlati the nao
doi voi hai loaf Enthalpy có the cua phan Ung:
1/ Phan ling toa nhiet. Nhiet toa ra khi he se duet moi tru6ng xung quanh
thu nap va lam cho cac ti6u phan cua moi truang xung quanh chuyen clang hon
loan hdn, vay bign thien Entropy cua moi truong xung quanh tang len:
Qhe <0 ; (Lei truang va ASmoi truang
> 0
2/ Phan ling thu nhiet. Nhiet ma he nhan dude la do moi truang xung
quanh mgt di. Mgt nhiet lam cho cac tieu phan cua mei truang xung quanh
trat tit hon (ft 116n loan hen) va lam giam Entropy cua no:
Qhe > 0 ; (Lei tniang < 0 va ASmoi trtthrig <
Trong ca hai truang hop, bie-n d6i Entropy dm mei truang xung quanh tS7'
le thuan vdi bie'n d6i nhiet cua moi truang xung quanh va quan trong hdn la
bie'n d6i ngtioc voi hien d6i nhiet cua phan ling (he):
ASmoi tnamg (Lei truCing Va ASmoi trtthng - Qhe

Nhiet de, tai do nhiet dudc them vao hoac brit di doi vdi mei truang xung
quanh, có anh httang den ASthni truing.
Hay xet truang hop he (phan Ung) toa nhiet d nhiOt do thgp va d nhiet de
cao. Cj nhie't d6 thgp, vi du 10°K, khi do mitt do chuyen clang cua cac phAn tit
cua moi trUang xung quanh nhO va chting sap xe'p có trat to cao nen Wong
nhiet them vao có tac dong lon lam tang nhanh di-1h ve trat tit, nghia la ASmoi
truang se tang manh. C6n khi i nhiet de cao, vi dud 298°K, khi do cac phAn tit
cua mei truang xung quanh da kha vo trat tit nen can.g ding Wong nhiet ay
them vao se co tac deng nh6 hon den mitt do h6n loan dm cac phan tit von da
vo trat tit. Noi each khac, bie'n thien Entropy cua mei trtiang xung quanh lon
hdn khi nhiet dttoc them van d nhiet do thgp hon. VI le do, bie'n thien Entropy
cua moi trUang xung quanh lien quan true tie'p den bie'n d6i nguoc VOi nhiet
trong he va tST' le nghich voi nhiet do ma tai do c6 bie-n d6i nhiet. Cac tticing
quan ay chicle the hien bang toan hoc:
1
ASmoi truang -Qhe Va ASmoi tnthng
T
Ke't hop cac ticing quan lai, to co:
Q he (6-49)
ASmoi tntang T

279
 Doi voi met qua trinh clang ap, nhiet la AH, vay:
AH he (6-50)
ASInoi tniang T

Dieu do có nghia la thong ta có the xac dinh dvoc, tinh than AS„ioi
,,ang khi bigt AHhe tai nhiet de xay ra sit bign del.
Can nhac lai dieu miu chet: n6u met phan itng tit din bign co ASh.. < 0
(he tri nen trat tV hdn) thi ASmoi truang phai có gia tri dtiong du len (mei trVang
xung quanh phai tra nen ye trat tit hdn) dg AS,6ng > 0 (vu try tra nen mit trat
tit hdn) theo dung phtiong trinh 6-43. VI du minh hoa sau day se lam sang to
tinh hu6ng nay a phan itng tong hop amoniac ma ta da bigt phia tren.
• Bai toan: tai 298°K phan itng tao thanh amoniac co AS he la am:

N2 (k) + 3H2 (k) -> 2NH3 (k) AS°h, = -197 J/°K

Phan iing co xay ra tv phat a nhiet do da cho?

Giai:
Tinh AH °he. (tile AH °pu ) theo phi sing trinh 6-37 (sau khi tra bang de bigt
cac gia tri AH °f cUa cac chit trong phan ta do:
o
AH °i,e = AH
P 11
= 2mol NH3 x (-45,9 kJ/mol) —
[3mol H2 x (0 kJ/mol) + lmol N2 x (0 kJ/mol)]
= -91,8 kJ
Tinh AS Litrutmg theo phVong trinh 6-50:
AH (-91,8 kJ x 1000 J/kJ)
AS° .. trucmg 308 J/°K
298 °K
Xac dinh AS Eng theo phildng trinh 6-43: 400
ASMOI Inrong
300 -
AS °t,3ng = AS °h6. + AS „; truing = -197 J/°K 200 -
OS Tong
+ 308 J/°K = 111 J/°K 100 -
As,„
VI AS °,6ng > 0 nen phan itng phai xay ra ttt 0
phat (tv din bign) tai nhiet do 298°K. -100 -
-200
(Chu Y: AH co don vi la kJ, trong khi AS do
don vi là J/°K. Trong bai toan khong &toe quen Hinh 6.18. Minh hop ket qua
del kJ thanh J, ngu khong se mac sai lam len). tinh cac AS caa phAn ang
tong hop amoniac
Kgt qua bai toan &toe minh hoa d Hinh 6.18

280
2.1.5. Bien dei Entropy vet trang thai can bang
Met qua trinh cJ trang thai can bang thi ASte,ng = 0 bai vi moi Eden thien
Entropy trong he va trong mei trucing xung quanh deli bang nhau nhung
nguoc chieu:
6 trang thai can bang, AShe = -ASmoi truang
Do do, a trang thai can bang, ASte,„g = AShe + ASmoi tru6ng = 0
♦Vi du, tinh AStSng cho qua trinh 'Dien d6i pha bay hdi - hoa rang dm 1
mol nu& cf 100°C (373°K):
H2O (1, 373°K) H2O (k, 373°K)
- Tru6c het, ta tim AS °t6ng cho hien d6i thu'an (bay hdi) bang cach tinh AS °he
373°K d>ta theo pinking trinh 6-48:
AS °he = E S° [SP] — E S° [CD]
S°H2O (k, 373°K) — S °H20 (1, 373°K)
= 195,9 J/°K - 86,8 J/°K = 109,1 J/°K
Dung nhu ta mong d6i, he ft:6 nen vo trkt tu hcin (vi AShe > 0) khi rang
chuyen thanh khi.
De:Ci voi AS rn oitruting theo phuong trinh 6-50 ta c6:

he
AS °moi trutmg
T
6 day AH °he = AH I°Dayhai d 373°K = 40,7 kJ/mol = 40,7 x 103 J/mol
Cho 1 mol /luck, ta clu6c:
AHbay hai = 40,7 x 103 J
6,S °moi traing = -109 J/°K
T 373 °K
Dgu am cho thy cac phAn tit i3 moi trtIang xung quanh tra nen trat tu
hdn vi thong mat nhiet.
Hai bien thien Entropy c6 ding do lon ng-u6c ve daii nen:
AStiing = 109 JrK + (-109 JPK) = 0
Doi voi qua trinh nghich (hoa lOng hdi mtesc), ASt6hg ding se chinh xac
bang 0 vi AS °h6 va AS moi twang chi là ngu6c dgu voi qua trinh thuian (bay hdi).
Dieu do c6 nghia la: khi he dat den trang thcii can bang thi khong co chieu new
let tif din bien; he trang thcii dung; bien dei Entropy dia he va bien doi
Entropy diet mai tru'O'ng xung quanh co tde d'O bang nhau nhu'ng ngu'o'c chieu.

281
2.1.6. Ty dijn bien eau phcin zing toa nhiet vet thu nhiet
Devil day chung ta hik vi sao ca hai loai phan ling toa nhiet va thu nhiet
deu có the xay ra tzi phat. Cho moi trang hop, du la chgt nao va Enthalpy cua
no bien d6i ra sao, phan ling chi xay ra neu tang Entropy cila phan ling va mei
trang xung quanh tang len.
- D6i vOi phan ling toa nhiet (AHhe < 0), nhiet dude .giai phong ra ngoai he
lam tang Entropy cfra mei truang xung quanh (ASmoi tni6ng > 0). Neu trong
he phan Ung tao ra cac san pha'm kern trat ti hdn cac chat dAu (chat
phan Vng) (AShe > 0), thi bien thien tong Entropy (AShe truand la
throng. VI du, sit oxy hod glucose, met phan -a ng thie't ye'u can cho cac
sinh vat bac cao:
C6H4206 (r)• + 602 (k) --> 6CO2 (k) + 012 0 (k) + Nhiet
6 mol khi tao ra 12 mol khi, vi vay AShe > 0, ASmoi truang > 0 va ASte,n, > 0.
Mat khac, neu he phan Ung tra nen trat tu hon khi xay ra phan Ung (AShe
< 0) thi mei trang xung quanh bait bust phai kern trat ttt hon nhi6u (ASmoi
trttang >> 0) de vuot qua bien d6i Entropy am cUa he va lam cho bien thien
Entropy tang la &tong. VI du phan Vng:
CaO (r) + CO2 (k) —> CaCO3 (r) + Nhiet
He tra nen trat ti hdn do so phan tii khi giam, nhung nhiet giai phong
lam tang manh vo trat tti cua mei truCing xung quanh, vi AShe < 0 nintng
ASmoi trdang >> 0 nen ASte,,ig > 0.
D6i voi phan iing thu nhiet (AHhe > 0), mei truCing xung quanh bi mat
nhiet nen Entropy cila no thgp hon (ASmOi trtiang < 0). VI vay, chi có met con
clang de met phan ling thu nhiet có the xay ra la he phan ling phai tra
nen rat vo trat tli (AShe >> 0) de vuot qua ASmoi truing am. Cac qua trinh
hoa tan nhie'u hop chat ion la vi du chung cho thvc te' nay: nhiet duoc
hgp thu tit ben ngoai de tao thanh dung dich lam cho moi trtfang xung
quanh tra thanh trat tki hon. Chinh vi he bat &Au tii trang thai trat tu
cao va ket auk la trang thai ve trat tti, nen da lam tang Entropy cila
dung dich, ha dap cho viec giam Entropy cila mei trtiong xung quanh.
Rut cuec, ASte,,,g la throng.
Phan ling gala bari hydroxyd va amoni nitrat la vi du cho phan tang thu
nhiet tv dien bien ma ta da bit d phan tru6c:
Nhiet + Ba(OH)2.8H20 + 2NH4NO3 (r) -->
Ba' (aq) + 2NO3 (aq) + 2NH3 (aq) + 10H20 (1)
3 mol chat ran tinh the hap thu nhiet tit moi trang xung quanh sinh ra
15 mol ion va phan tii hoa tan, vi the he tra thanh rat vo trat tit (AShe >> 0).

282
 * Tom tat ye Entropy
M'Ot qua trinh tu din bign theo mot chiu xac dinh la mot qua trinh
trong nhfing digu kiln cu the to xay ra ma khong can cap them nang Wong
lien tue tii ben ngoai. Khong th4 du doan dude chiu huong cila qua trinh ne-u
chi can cii vao Nguyen lY I hoac clau cud AH. Tat ca cac qua trinh thu nhiet tu
di6n bien de'u dua he tif trat tu'de-n kern trat tu hon. Nguyen lY II cila Nhi0
&Ong hoc cho mot qua trinh tii din bien lam tang Entropy cila vu tru (=
he + moi truing xung quanh). Cac gia tri Entropy la tuyet dol, bai vi cac tinh
thd hoan hao có Entropy bang 0 a 0°K (Nguyen lY III). Entropy mol tieu chan
S° (J/mol.°K) chiu anh IntOng bai nhi4 48, Men d6i pha, hoa tan va miic dO
phifc tap ciia ca-u tao chat, Entropy tieu chuan cua mot phan ling AS °° dude
tinh tii cac gia tri S°. Neu so mol khi tang len trong phan ling thi ASP > 0.
AS Li „Irons 67' le trvc tiep vdi AH he (AH °pu. ) va tY' le nghich vdi nhist dO ma tai
do co bien thien Enthalpy. Mot h" co the tra nen tilt tu hon chi khi moi
trtiOng xung quanh \To trat tki hon. He d trang thai can bang thi ASt6ng = 0.
2.2. Entropy, Nang 'dicing ti do Gibbs va Cong
Tii hai chi s6 do rieng biet la AShe va ASmoi truang cho phep thong to dti doan
mot phan iing có xay ra tvphat tai nhiet de nhgt dinh hay khong. Tuy nhien
se t*i lcii hen ne-u chi dung. *It tieu chi alp dung rieng cho he de danh gia
mitc dO to din
Co mot tieu chi nhu vay, goi la Nang Wong tti do Gibbs (G) - hoac Nang
luring tu do, Enthalpy tu do, The ding dp clang nhiO, la mot ham kgt hop
Enthalpy va Entropy cua he.
Ham nay duoc mang ten nha vat lY ngU6i My Gibbs (J. Willard Gibbs,
1839-1903) - nguai &Au tien de xueing ra no nam 1877:
G = H — TS (6-51)
[Co th4 tom luck ye each thanh lap ham G nhu sau:
Viet tong thitc not nang cht8i dang vi phan:
dU = SQ + SA' (6-51a)
Cong nguyen to OA' (cho Y: 8A' khong phai la vi phan, vi ding, cang nhu
nhi4, khong phai la ham trang thai) trao d6i gifia he va moi frith/1g xung
quanh grim tong gian na (-PdV) va moi dang ding c6 Ich khac (GA). Nhu \Tay,
theo Nguyen 1ST I thi:
dU = SQ — PdV + SA
Nguyen lS7. II cho biet:
5Q
dS =
T

283
(la vi phan cUa ham trang thai Entropy S c1 qua trinh trao doi nhiet thuan
nghich, T là nhiet dO cua nguem nhiet trao d6i Wong nhiet SQ voi he, RI bik
d6i'nguyen to gdn nhti tinh. Neu trao d6i la bgt thuan nghich thi dS > 81 `?_;
T
xem gido trinh Vat lST).
Ket hop 6-51b va 6-51c (We la ke't hop 2 Nguyen 1ST I va II) ta c6:
dU = TdS — PdV + SA
hoac SA = dU — TdS + PdV
Khi lay tich phan v6i T = const va P = const, ta duoc:
A = AU — TAS + PAV
= (U2 — U1) — T(S2 — S1) + P(V2 — V1)
= (U2 + PV2 — TS2) — (Ui + PVi — TS)
= (U + PV — TS)2 — (U + PV — TS)1
Thay U + PV = H, ta thu duoc:
A = (H — TS)2 — (H — TS)1
Bik thifc sau ding cho tl4y cong c6 Ich A bang hieu s6 cua H — TS
trang thai cuoi va trang thai dau, chhng to hieu s6 nay la mot ham trang thai
cUa he.
Khi dat G = H — TS, thi:
A = G2 — G1 = AG = AH — TAS (6-51d)
Nhii vay AG la phan Enthalpy c6 the chuyk thanh cong c6 Ich trong die'u
kien dang nhiet dang Ai) nen con goi la Enthalpy tai do, hay the clang nhiet
clang dp.
Phan trinh bay tie-p &tad day la each tigp can khac do'i vOi AG].
2.2.1. Bien thien nang lu ing ty do Gibbs vet dit dodn chieu tti dibt biert
ctia phcin ang
Bien thien nang hiring O./ do (AG) la s6 do mile do tai din biker' cua mot qua
trinh va la s6 do nang Wong c6 ich dung de sinh ding thiic hien qua trinh do.
Hay xem bi6n thien nang Wong tai do duoc rut ra tit Nguyen IST II nhu the
nao. Theo dinh nghia, bio'n thien Entropy ciia vu tru bang tong bie'n thien
Entropy cila he va cua moi tnfang xung quanh:
ASt6ng = AShe ASmoi truang
dp suKt khong doi:
AH ha
ASmoi truang
T
(xem cac phiidng trinh 6-43, 6-50).

284
 Thay the doi vdi ASmoi ing ta thu dtfoc:
OH he
ASt6ng = AShe
T
Nhan hai ve vdi (- T), ta c6:
-T.ASto,ng = AHhe - TAShe
Nhtt vay, tong bie'n thien Entropy (cila vu tru) bay gia dtfoc bieu thi chi
bang cac s6 hang caa he, cluing ta dtia ra met dai Wong mdi la nang Wong ti
do de thay cho cac thuat ngtt Enthalpy va Entropy. VI G = H - TS, nen m'ai
bie'n thien v6 /tang Wong tit do ciia he a nhiet do va Ai) suat khong d6i d6u cho_
bdi phtiong trinh Gibbs:
AGhe = AHhe - TAShe (6-52)
Ket hop ph-acing trinh nay vdi ttidng quan da tim duac d tren, cluing ta
thay rang:
-T.ASt6n2 = AHhe - TAShe = AGhe (6-53)
Dau cita AG se cho bie't met phan ling c6 tit din hien hay kitting. Nguyen
lY II chi ra rang: ASt6ng > 0 doi vdi met qua trinh tai din bie'n va ASvng < 0 doi
vdi met qua trinh khong tti din bie'n va bang 0 cho mot qua trinh a trang thai
can bang. Vi T luon luen doting, do d6 a qua trinh tti din bie'n TAS„sng > 0 hoc
-TASt6ng < 0. Vi AG = -TASvng, nen:

AG < 0 cho qua trinh tti din bien

va say luan Wong 41, AG > 0 cho qua trinh khong tti din bier'
AG = 0 cho qua trinh d trang thai can bang
pigu quan trong phai nhd Ia mot qua trinh khong tai din bign theo chieu
nay (AG > 0) thi no se t11 din bie'n theo chieu ngtioc lai (AG < 0). Chu 57 la khi
ket hop laid AG, cluing ta clang kitting dtia. ra dolt ST Wang gi mdi, nhung da tim
duck cach khac de dki doan chieu htiong tti din bign cua phan ling chi Oa vac)
met bie'n s6 (AGhe) thay vi phai xet hai bie'n s6(AShe va ASmoi t,,th„g). Mat khac phai
d4c biet ltiu 57 là dau va do lan cila AG cita met phan fi n g boa hoc cling chtta cho
cluing ta bie't gi v6 tOc de.xay ra cita no. Phan ling gifia H2 (k) va 02 (k) a nliiet
do phOng la met vi du dien hinh cho kha 'tang tt.i digit bie'n rat cao (vi gia tri AG
rat am), nhtmg ne'u khong c6 xtic tac hoac tia cham ngoi thi phan ling khong
xay ra vi t6c do nh6 den mitt khong the nhan bi6t dtioc.

2.2.2. Bien thien ruing lacing to do chudn AG° vet ruing lacing tt do hinh
theinh chutin zIG
ta cling goi tat AG° la nang Wong Gibbs chuan va AG °f la nang
Wong Gibbs hinh thanh chuan).

285
 Vi ham G ke't hop 3 ham trang thai H, S va T nen no cling la mot ham
trang thai. Giong nInt Enthalpy, nang hiOng ttt do Gibbs khong c6 diem xuat
phat tuygt doi, vi viy chting ta chi do &lac nhiing bie'n thien cua nang Wong
ay (AG).
Tuong tit nhu cac bign s6nhigt dOng khac, nang Wong Gibbs chuin AG° chicic
xac Binh khi tat ca cac thanh phan cila he d trang thai chua2n. Do do ta c6:
AG he = AH he - TAS he (6-54)

♦Bai tap van dung: kali clorat la tac nhan oxy hoa thong dung trong cac
chat no, phao hoa, diem... c6 the tit oxy hod trang thai ran, s6 oxy hod
cua Cl d chat diu (chit phan Ung) vita tang vita giam a cac san phim (chat ta.o
thanh). Hay tinh AG °pu d 298°K cila phan
4KC103 (r) --> 3KC10 4 (r) + KC1 (r) AG ° ply ?

biit AH °f : -397,7 -432,8 -436,7

kJ/mol kJ/mol kJ/mol
va S°: 143,1 151,0 82,6
J/mol.°K J/mol.°K J/mol.°K

Giai: tinh AH °he bang cach dita cac gia tri bang so" da bigt vao plitiOng
trinh 6-37:
o = [3mol x (-432,8 kJ/mol) + 1 mol x (-436,7 kJ/mol)]
AH o =
he
- 4mol x (-397,7 kJ/mol)
= -144,3 kJ
Tinh AS he theo phuong trinh 6-48:
o = [3mol x (151,0 J/mol.°K) + 1 mol x (82,6 J/mol.°K)]
AS he = AS
- 4mol x (143,1 J/mol.°K)
= -36,8 J/°K
Tinh AG °e 4c'J 298°K theo phtiong trinh 6-54:

AG °he = AH he - TAS °he = AG 0pu.

= -144,3 kJ - [298 °K x (-36,8 J/°K) x (1 kJ/1000 J)]
= -133,3 kJ
VI AG °° am nen phan fing la tu phat, tuy nhien to'c do phan ling a/c kY
chim vi dOi hOi cac nguyen tit oxy nhigt dO 25°C phai di chuye'n trong chat
ran la vig‘c khong de clang. Nhung khi KC1O3 &toe dun /long dgn wan nhiet dO
/long chay, cac ion di chuyk tit do hal thi phan Ung xay ra rat nhanh.

286
 Chung ta co cach khac ct tinh AG p U ti'en lcii hcin khi sii dung cac gia tri
nang ltidng Gibbs hinh thanh chudn AG °t vai Binh nghia:
Nang Wong Gibbs hinh thanh chudn AG °f la Men thien nang Wong tu do
caa 1 mol chat chide tao thanh tii cac ddn chat a trang thai tieu chudn.
Vi nang Wong tai do G la mot ham trang thai nen Chung ta co the IC& hdp
cac gia tri AG °f dm chat dau va san phdm (Wong tti nhtt tim AH 0pu vac)
sinh nhiet tieu chudn AH °f cila cap chat) de tinh AG pU , ma khong can xem xet
qua trinh phan ling da xay ra nhtt the nao:
AG p°, = E AG °f [SP] — E AG °f [CD] (6-55)
Chti khi dao ngtidc phan -tang phai d6i dau AG °f . Ngttai ta xac dinh AG °f
cho cac chat ya lap thanh bang, vi du Bang 6.11 ghi cho mot s6 chat..
Bang 6.11. Nang lu'ang Gibbs tao thanh chudn AG °f caa mot s6 chgt a 25°C (298°K)
ChM hoac ion ChM hoac ion
AG °
f (kJ/mol) AG °f (kJ/mol)
Ag (r) 0 CO2 (k) -394,4
Ag (k) 250,4 CO, (aq) -386,2
Ag+ (aq) 77,111 C032- (aq) -528,1
AgF (r) -185 CH4 (k) -50,81
AgCI (r) -109,72 C2H2 (k) 209
AgBr (r) -95,939 C2H4 (k) 68,36
Agl (r) -66,32 C2H6 (k) -32,89
AgNO3 (r) 19,1 C3H8 (k) -24,5
Ag2S (r) -40,3 C2H5OH (k) -168,6
B (r) 0 C2H5OH (I) -174,8
B2H6 (k) 86,6 Cu2O (r) -146
8203 (r) -1193 CuO (r) -130
Bre (I) 0 H+ (aq) 0
Br (aq) -102,82 H2 (k) 0
Ca (r) 0 H2O (k) 228,6
Ca3(F04)2 (r) -3899 H2O (I) 237,192
CaSO4 (r) -1320,3 KCIO3 (r) - 296,3
C (graphit) 0 KCIO4 (r) -303,2
C (kim cuang) 2,866 KCI (r) -409,2
C (k) 669,6 03 (k) 163
CO (k) -137,2 SO2 (k) -300,2
SO3 (k) -371

287
 ♦Bai tap van dung: tra lai phan lang tii oxy hoa khii da neu tren, sau khi
tra bang tim AG °f cua cac chdt trong phan lang, ta vigt:

4KC103 (r) ---> 3KC104 (r) + KC1(r) AG °Mr?•

Bigt AG °f : -296,3 -303,2 -409,2

kJ/mol kJ/mol kJ/mol
Ap dung pinking trinh 6-55, ta c6:
AG °° = [3mol x (-303,2 kJ/mol) + lmol x (-409,2 kJ/mol)]
- 4mol x (-296,3 kJ/mol)
= -133,6 kJ
Kgt quad bai tap nay va bai tap tilt& c6 khac nhau chilt It do sai so cua
thiic nghiem. VI AG °f da c6 san trong bang cho cac chdt, nen tim AG° cilia mot
phan ung d 25°C duoc don gian hon nhigu.

2.2.3. Y nghia cua dG

Chung ta d'a thdy loi ich cila AG de dv doan chigu Iniong ti din bign cua
phan ling. Bay gia can phai xem xet chi tigt hdn khai niem nang Wong tv do
de bigt dtioc y nghia thVc cila AG. MOt trong nhfing Wong quan nhiet dOng hoc
rat thip to la quan he gifia bign thien nang Wong tai do cila phan iing va s6
Wong ding ma he thip hien. Doi voi mot qua trinh ti din Eden, AG la cong chic
dai ma he c6 the thVc hien:
AG = Amax' (6-56)
hoi vdi qua trinh khong ti din bign, AG la ding tgi thigu dg he bign cloi
trang thai.
Cong cvc dai cho ta Sr nghia gi? Cai gi quygt dinh gidi han cua no? Vi sao
khong the sif dung toan bo bign thien Enthalpy cila he cle thvc hien cong? De
tra lc3i cac eau hoi, ta tra lai pinking trinh 6-52:
AGhe = AHhe - TAShe
Va cloi ch6 AH he ta dtioc:
AHhe = AGhe + TAShe (6-57)
PhvOng trinh nay cho thay, bign thien Enthalpy cua mot phan ling Om
hai bign thien nang Wong ti do (AGhe) va bign thien Entropy phu thutic
nhiet dO (TAShe). Moi phdn la mot phdn cua nhiet tang th6 chuyk doi trong
phan Ung (AHhe). De lam ro sv the hien oda moi phdn, ta xet phan iing clot
nhien lieu thong dung trong xa hOi, do la phan ling chay cua octan trong ddu
hoa, xang:

288
 C8H18 (1) + 25/202 (k) 8CO2 (k) + 9H20 (k) + Nhiet
Khi octan chay trong d8ng cd &to, mot Wong lon nang Wong ditOc giai
phong dtidi dang nhiet (AH he < 0).
Vi so mol khi tang nen Entropy cila he tang (AShe > 0). MCA phdn caa
nang Wong tong the chuyen thanh ding lam quay cac banh xe, nap dien cho
acqui va mot s6 viec khac. Day chinh la phdn the hien dia. AG„, phan nhiet
cua phan ifng thvc hien cong.
Tuy nhien, luon luon c6 mot phdn khac (TAShe) cua nhiet tong the chi don
gian de lam nong Ong cd va khong khi ben ngoai, gia,tang si chuyen d8ng
hiin loan cila cac tieu phan d moi truang xung quanh theo dling Nguyen 1ST II.
Trong khi Nguyen 1Sr I xem xet nang Wong vg mat so- luting thi Nguyen 157 II
(nha no ta thie't lap &toe Wong quan Oita AG, AH va AS) xem xet nang Wong
theo khia canh kha nang sit dung. dang AGhe nang Ming c6 the sit dung thuc
hien cong (phdn nhiet dung de sinh ding). dang TAShe nang luting tra nen vo
dung (phdn nhiet khong the sinh ding); no bi phan tan de bien doi Entropy
cii'd he. Di'du nay lam sang to Nguyen 1ST II nhit da cong c6 the bien 'loan
toan thanh nhiet, nhung nhiet khong the bien hada than thanh cong (nang
Wong cd, then, hod., quang...).
Tom tat lai mol lien quan gitita nang ludng Gibbs, cila mot phan ling va
cong ma no c6 the thvc hien:
+ Wit phan itng tu di6n Men: AGhe < 0 (6-57a) se xay ra va c6 the thkic
hien cong ra moi tritang xung quanh.
+ M8t phan Ung kh6ng tu dien bien: AGhe > 0 (6-57b) se khong xay ra,
tru khi moi truong xung quanh thuc hien ding vao he.
+ MOt phan ling a trang thai can bang: AGhe = 0 (6-57c) thi khong c6 qua
trinh nao thi c hien cong.

2.2.4. Anh hudng czia nhift do der' qua trinh tzd (Bin Nen aid phdn zing
Trong nhi6u trtiong hip, phdn Enthalpy (AH) tao ra nang luting ti do
(AG) lon hdn so vdi plidn Entropy (TAS). Theo do, hdu het cac phan ling toa
nhiet la tit dien bien, vi AH am lam AG rat am. Tuy nhien, nhiet d8 ma tai d6
phan ling xay ra anh huang den sec hang TAS nen trong nhi'eu tritang hop no
lam cho phan Entropy tra nen quy6t dinh chi6u twang tit dien bien. Bang cach
xem xet dau cua AH va AS, cluing ta c6 the dtt Joan ditoc anh hitting cua nhiet
di) den dau cila AG va theo d6 la chie'u hitting ti diAn bien cua phan Vng (6 day
cluing ta gia sit rang AH va AS thay d6i theo nhiet d8 khong dang Ice; di6u do
thuang rat dung chit/1g nao khong co bien d6i pha). Sau day chling ta xem xet
4 cach 14t hop gill:fa AH° va AS° vdi dau diking va am, trong do hai cach ket
hop khong phu thu8c nhiet d'8, con hai cach thi co phu thu8c.

289
 Ccic tnidng hdp khong phy, thu'Oc nhiO
1/ Phan iing tai dien bie-n a moi nhiet d6 khi AH° < 0 va AS° > 0, vi theo do
AG° Won luon am.
Rgt nhieu phan ling Chay xay ra theo cach nay, nInf cila glucose va octan
ma ta da.‘ xet tren. Phan Inag phan hu'Y hydro peroxyd, mot chA sat trang
th6ng thltang, cung xay ra ttt phat d moi nhilet crO:
2H202 (1) -> 2H20 (1) + 02 (k) AH° = -196 kJ
va. AS° = 125 J/°K
2/ Phan ling khong xay ra (khong ttt din bi6n) d moi nhiet d6 khi AH° > 0
va AS° < 0, vi theo do AG° Won luon &icing. VI du, sit tao thanh ozon tit khi 02
là khong the xay rad -ta-t, ca cac nhiet d6:
302 (k) —> 203 AH° = 286 kJ
va AS° = -137 J/°K
Phan ling nay chi xay ra khi dtioc moi trtiong xung quanh cung cap diz
nang Wong (nIni co tia Eta dien phOng qua khi oxy tinh khiet).
Ccic tru'dng hdp phu thuOc nhi0 ctc3:
3/ Phan ling tit din bie-n d nhiet d6 cao khi AH° > 0 va AS° > 0. Trong
triiang hop nay, AS° là thu4n loi cho qua trinh tit din bie'n (vi -TAS° < 0)
nhttng AH° thi kh6ng, vi du:
2H20 (k) -> 2H2 (k) + 02 (k) AH° = 483,7 kJ
vb. AS° = 88,76 J/°K
Vdi AH° dttdng, phan lang chi xay ra khi -TAS° du lon de lam AG° am. Dieu
do xay rad nhiet d6 cao hon. Sti phan huS', hdi nttdc thanh khi hydro va oxy
se xay ra ti phat d T > 5450°K (> 5177°C).
4/ Phan ung tit din bien d nhiet do thavp khi AH° < 0 va AS° < 0. Trong
trUang hdp nay AH° la thu4n loi cho qua trinh ttt dien bien, nhting AS° thi
khong (vi -TAS > 0), vi du:
2Na (r) + C12 (k) —> 2NaCl (r) AH° = -822,2 kJ
va AS° = -181,7 J/°K
Vol AH° am, phan ling chi xay ra ne'u s6 hang -TAS nh'6 hOn s6 hang AH°,
di6u nay chi xay rad nhiet d6 thgp hon. Che" tao NaC1 theo phan.t.ng tren
phai that hien d T < 4525°K (4252°C). Cac vi du khac tlidng tai nhtt phan iing
tao thanh cac muoi amoni halogenid tit arnoniac ve, hydro halogenid, hoc tao
ra cac kim loaf oxyd, kim loci fluorid va clorid tit cac nguyen
Bang 6.12 tong ket lai 4 kha nang 1K:el hop có the cila AH° va. AS°. NInt da
biet, man tinh AG° ta can tinh difoc bi6n thien Enthalpy bie'n thie rr
Entropy. Nailing vi AH° va AS° thay d6i eothnhiet d6 khong dang ke', nen

290
chUng to có the dung cac gia tri cua cluing a 298°K de kiem dinh anh hitting
cua nhiet dO den AG° va cling chinh la kiem ctinh chi6u hitting tit dien bier' dm
phan ung.
Bang 6.12. Ty' dien bign cua ph5n ang va clau cua AH °, AS° va AG°
(xet theo phtiOng trinh \G° = AH° - TAS°)

AH° AS° -TAS° AG° MO ti Ioai phan ling

X5y ra ci moi nhigt d6

Kh6ng xay ra 6 moi nhigt d6
X5y ra 6 nhigt d0..thgp hdn T, kh6ng )(Ay
+ hOc —
To 6 nhigt d6 cao hon T
+ ho5- c —
X5y ra 6 nhigt dO cao hon T, khong xay ra
a nhigt do thgp hon T
♦Bai tap van dung: met phan ling quan trong trong tong nghiep san
xudt acid sulfuric là oxy hod SO2 thanh SO3:
2S02 (k) + 02 (k) 2S0 3 (k)
298°K, AG° = -141,6 kJ
AH° = -198,4 kJ
va AS° = -187,9 J/°K
a. Hay sit dung cdc s6 lieu dd cho de data ra ke't luan: khi phan -tang là tai
phat d 25°C thi AG° se Eden dai the nao khi T tang?
b. Gia sit AH° va AS° la hang s6d6i vdi T, phan ling có con tit phat a 900°C?
Giai: a. VI AG° < 0, nen mot htin hop kill g8m SO2, 02 va SO3 trong trong
thai chuan (1 atm) se ti din bies'n tao ra nhieu SO3 (k). Do AS° < 0, nen -TAS°
> 0 (luon luon) va tang diking hdn d nhiet dO cao bin T. VI vay, AG° se" am It
hon va phan ling tit phat It hdn khi tang T.
b. Tinh AG° a 900°C (T = 273 + 900 = 1173°K):
AG° = AH° — TAS°
= -198,4 kJ — [1173 °K x (-187,9 J/°K) x (1 kJ/1000 J)]
= 22,0 kJ
VI AG° > 0, phan ling khong tit phat (khong xay ra) c3 nhiet dO 900°C va
cao hon.
2.2.5. Nhiet do ma tai do phcin zing troy nen tzt dijn bie-n
Nhu dl thay, khi AH° va AS° ding dau, mot s6 phan itng la khong tit phat
nhiet dO nay nIntng tra nen tit phat nhiet do khac va ngttoc lai. SO rat ich
loi neu bie't &toe nhiet di) ma tai do mot phan ling se xay ra ttt phat. DO chinh

291
la nhiet d8 ma tai do AG° diking chuydn thanh AG° am do s6 hang -TAS° clung
vai trO hidu chinh. Ta se tim thay nhiet d8 gi.6i han do khi dat:
AG° = AH° - TAS° = 0
AH o
do do, AH° = TAS° va T = (6-58)
As°
Hay xem xet phan ling cita d6ng (I) oxyd vii carbon, no khong xay ra
nhiet d8 thap (25°C), nIning di.toc sit dung d nhiet d8 cao hdn de tach d6ng
trong tong nghe:
Cu20 (r) + C (r) 2Cu (r) + CO (k)
Nhin phuong trinh da vi6t, ta dit doan chic chin rang phan itng co bi.6n
thien Entropy &tong vi s6 phan tit kill tang len. Dung la AS° = 165 J/°K.
nhiet d8 thap phan iing kh8ng xay ra vi AH° = 58,1 kJ. Khi s6 hang -TAS° tra
nen du lin (am nhidu hdn) d nhiet do cao, no se vuot qua s6 hang AH° diking va
khi do phan ling se xay ra tu phat.
Ta tim AG° cho phan -Lang nay d 25°C, sau do xac dinh nhiet d8 ma tit do
phan ling se tit Oat. O 25°C (298°K):
1 kJ
AG° = AH° — TAS° = 58,1 kJ — (298 °K x 165 J/°K x ) = 8,9 kJ
1000 J
VI AG° la diking nen phan iing khong tit xay rad 25°C. C nhiet d8 gioi
han, AG° = 0, theo phuong trinh 6-58 ta co:
1000 J
AH o 58,1 kJ x
T— „ — 1 kJ = 352 °K
As" 165 J/°K
moi nhiet do cao hdn 325°K (79°C) -
mot nhiet d8 vita phai cho viec thu h6i kim
loaf tit quang cilia. no, phan -tang ti6n hanh tit
phat (Hinh 6.19). AG” = 0 < 0,
to phat
Day la sd ct6 cua hai s6 hang hop thanh \G° > 0,
khOng tut OH"
AG. Theo T, ta thay AH° Wong dui hang dinh
con - TAS° tang len ddu Tan d6i vii phan ling phat -TAs°
Grad han
gifia Cu2 0 va C. C3 T thap phan ling la khong T = 352°K
tit phat (AG° > 0) vi s6 hang AH° duong chi6m
uu th6. ei 325°K, AH° = - TAS°, vi v4y AG° = 0. Nhi4't dO
O moi nhi6t d8 cao hdn gioi. han T, phan tang Hinh 6.19. Anh haeing caa nhigt
tra nen tit phat (AG° < 0) vi s6 hang - TAS° dO dgn sit tt.t phat cua ph6n ang
chi6m uu the.

292
2.2.6. Ghep cloi phdn ieng c e' dieu khiin mot phdn ieng kh6ng trt phcit
Khi chia, mot phan tit phat nhidu bit& thanh titng buck nhO, ta
thuang thay rang có mot 13-116c khong tit phat ditoc didu khidn bdi mot bitdc tit
phat trong mot cap phan itng ghep doi. CO mot bit& 'la° do cung cap ddy clu
nang litong tit do cho mot bit& khdc xay ra, chAng han nhv dot chdy xang
cung cap clu nang luting tit do de lam ca mot chi& '6 to chuydn &Ong.
Trd lai phan fing vita dd cap tren khi khit d'Ong (I) oxyd bdi carbon, ta
thay phan ling tang hop trd nen tit phat d bat IcSr nhiet do nao cao hdn 352°K.
Tuy nhien, khi chia phan ling thanh hai bit6c, chung ta thay rang d nhiet do
cao hdn, chAng ban 375°K, d'Ong (I) oxyd khong tit din bie'n phan huy thanh
nguyen ta:
Cu2O (r) ---> 2Cu (r) + 1/202 (k) AG 375 = 140,0 kJ
Trai lai, sit oxyd hod carbon thanh CO d 375°K la hoan toan tit dien bien:
C (r) + 1/202 (k) ---> CO (k) AG 375 = -143,8 kJ
Khi ghep doi cdc phan ling nay, nghia là cho carbon tidp )(tic voi Cu2O thi
phan itng có AG° am 16n hdn se" "didu khidn" phan ling c6 AG° diking nhO hdn,
ket qua la phan ling tang Ong xay ra tit phat voi AG° < 0:
Cu2O (r) + C (r) --> 2Cu (r) + CO (k) AG °375 = -3,8 kJ
Nhidu phan f.ing hod sinh quan trong cung khong xay ra tit phdt. VI du,
nhang giai Joan guy& dinh trong qua trinh tang hop protein va acid nucleic,
sit tao thanh cdc acid beo, sit duy tri can bang ion cila mang to ban, sit be gay
chat dinh duang... là nhiing qud trinh có AG° dating. "Didu khidn" nhung bitoc
phan ling khong thudn loi ve mat nang Wong nay bang each ghep doi cluing
voi mot phan ling tit phat la each thong dung chicle thdy trong moi co thd sang
dicing vat, thuc vet, vi sinh vat. VI du, de khdi ddu qud trinh giai phong nang
luting dm glucose (C6H1206) trong t6 bao, bli6c ddu tien la phai gan ditOc nhOm
phosphat vao no theo phan ling:
Glucose + HP042- + H+ [Glucose Phosphatj- + H2O
AG °pti= 13,8 kJ
Vi AG° &icing nen phan itng khong tit xay ra. Trong khi do, phan tit
adenosin triphosphat goi tat IA ATP (mOt phan tit giau nang Wong, thiet ydu
cho moi hoat dOng sang) c6 phan ling thug phan:
ATP4- + H2O ADP3- + HP042- + H+
Adenosin diphosphat
AG ° = -30,5 kJ

293
 Khi ghep doi hai phan ling tren, phan ling muc tieu can gan phosphat
vao glucose dude thuc hien (tit phat xay ra):
Glucose + N1P4- [Glucose phosphat]- + ADP3-
AG °Ptr = -16,7 kJ

- OH OH OH
I I I
HO--O—P—O—P-0—CH2
I II Adenin
- OI0 0

OH OH
Adenosin triphosphat, ATP (khi 41-1+ tach ra se dude ATP4-)
OH OH
HO—P—O—P—O—CH2
0 0 O Adenin
N

OH OH
Adenosin diphosphat, ADP (khi 3H+ tach ra se duac ADP3-)

* T6m Vat v6 nang Wong tit do Gibbs

Dau cua bign thien nang Ming tit do Gibbs, AG = AH - TAS, c6 lien quan
true tigp dgn chigu Iniong tit phat caa phan ling: met gia tri AG am tuong ling
voi AS,thig (cila vu tru) dtiong. Chung to sit dung bign thien nang Wong iii do
chuan (AG°) de dot chigu tinh tit phat caa cac phan ling va sit dung nang Wong
tut do tao thanh chuan (AG °f ) de U./1h AG ° a 25°C. MOt phan AHp„ c6 the sinh
p ,r

tong (AG), trong khi nhung phan khac lam tang mite dc) vo trat tit eila he
(TAS). Khong the thu &toe tong cite dai trong met qua trinh thuc bdi vi luon
hem c6 met phan nang ludng tit do chuyen thanh nhiet. DO 18n cua T anh
huang dgn tinh tit phat cua cac phan ling phu thuee nhiet do (khi ma AH va AS
ding dau) do anh huang den de lOn dia TAS. Doi voi nhfing phan ling nhu vay,
gia tri T ma a do phan ling tra nen tit phat c6 the drill dude bang each cho AG
= 0. Met phan ling khong tit phat (AG > 0) c6 the lam cho tit phat bang each
ghep doi vdi met phan ling tit phat lon hon (AG << 0). Trong co the cac sinh
vat, phan ling thug phan ciia ATP da "diet' khien" cac phan iing c6 AG daring.

294
3. THE HOA HOC pt
Cdc ham U, H, G khong chi phu thu6c vao cdc thong s6 P, V, T ma con
phu thu6c vao sti thay d6i thanh phdn cUa h6, nghia la phu thu6c vac) su thay
d6i s6 mol cUa co.c cdu tit trong 116 (do cac chdt có th6 thodt ra khoi he hoc
dUoc them vao he, hodc do On tai mot phan ling hod hoc. Tdt nhien, hai tic
d6ng do cif). th6 clang xay ra).
Truoc h6t, ta hay xet G trong truang hop h6 kin cua khilST Wang voi P, T,
V bien d6i. Tit ham G:
G = H – TS = U + PV – TS
Ldy vi phan toan phdri ham tren:
dG = dU + PdV + VdP – TdS – SdT (6-59)
Vi dU = 6Q - PdV va trong qua trinh trao doi nhi6t thudn nghich thi
6Q = TdS (xem pinking trinh 6-51c), do do tit pinking trinh 6-59 ta thu dtiOc:
dG = VdP – SdT (6-60)
Khi T = const va voi 1 mol khi 1ST Wang V = RT/P dua vao 010:Mg trinh
6-60, ta dtiOc:
dG = RT dP = RTdlnP
P
N6u ldy tich phan khi ap suit thay doi tit Po den P, thi:
G – G° = RT1nP/Po
rut ra: G = G° + RT1nP/P0
Ta hieu G° là the ding ap (nang luong Gibbs) cila 1 mol khi 1ST Wang a
nhi6t d6 T khi P = Po = 1 atm, theo do G° duoc goi la the ding dp mol chudn.
Trong di6u kin nay va voi dinh nghia hoat ap cua khi la a' = — P (m6t so
Po
kh6ng this nguyen), ta vi6t lai pllifong trinh tren nhtt sau:
G = G° + RT1nP (atm)/1 (atm) = G° + RTlna' (6-61)
Phuong trinh 6-61 la vi6t cho 1 mol cUa mot chdt khi. N6u h6 chita n1 mol
cUa khi Al, n2 mol cua khi. A2... mol cua khi Ai, tao thanh mot hO'n hop khi
có th6 tich V va ap suit chung la P thi:
GhOn hop UhOn hop Phtin hop.V – T. Sh-on hop
= U1 + ( Z ).V — T.(E Si )
1
= EG; (6-62)
(Chu ST: ta vi6t duoc phuong trinh nhu vdy vi U, P, S la nhcing dai Wong
khu6ch d6, co tinh chdt "Ong").

295
 Can hieu: Gi la the ding ap rieng pilau cua khi i trong hOn hop va
Gi = ni Gina d day Gino', i la the ding alp mol cua khi i va:
Gmoi, G°.61, + RT1nPi = G°.01, + RT1na'i (6-63)
Voi Pi la ap suit rieng phan cua cdu to i trong hOn hop kill (Chu ne'u
khi khong phai 16.1ST tudng thi hoat alp a'i duoc thay bang hoat dO:

a = f. P. = fi at i (6-63a)
Po
cS day fi la he seihoat dO cua cdu tit i. Khi = 1 ta lai có:
= a'i (6-63b)
Con khi tang khac xa dein vi thi chdt khi tang khac vdi kill 1ST Wang.
Ngudi ta goi Gina i la the hoa hoc (hoac hoa the) ciia khi i, kY hieu la pi,
con i la th6 boa hoc mol chudn cua khi i,1KST hieu la vay:
= + RT1nPi = + RT1na'i (6-64)
Nhin chung lai:
G= Gi = E ni G.01, = Eni ,ti (6-65)

The hod hoc Ili la the ding ap (nang Wong Gibbs) mol rieng phan cua cau
tit i trong he, bieu thi mac dO tang khi nang sinh tong có Ich (tinh cho 1 mol
cdu tit) cua he. Hoac not gon hon, do la dai Wong mol rieng phan cua G:
( aG vdi j i (6-66)
I-Li = an; ,T,P,ni
(Dao ham nay cua G theo phai tinh d T, P va s6 mol khac tiic la ni
khong d6i).
Khi he thuc hien mot bier' d6i vo ding be, thi ham G = G (T, P, ni) can
&toe lgy vi pilau de bieu thi G thay d6i mot Wong:
(aG aG
dG = (aG) dT + dP + dn . (6-67)
aT P, ap T, ni P n.J 1
an T "

Ta chu 57 rang, gia tri cua raG la dao ham cua G theo T khi P va
,a-r,P,n1
s6 mol khong d6i se bang -S, S la Entropy cua he (xem pinking trinh 6-60); con
r aW
la dao ham cua G theo P d T khong doi va s6 mol khong c161 nen do
,ap ,T,n,
chInh la the tich V ciia he (xem phiicing trinh 6-60). Vay, ta vigt lai phuong
trinh 6-67, vdi su sap xetp lai trat tit cac s6 hang, nhu sau:

296
 ( aG
dG = VdP — SdT + l dn (6-68)
van ; i T, P, n
Ket hdp voi phuong trinh 6-66, ta c6:
dG = VdP — SdT + dn i (6-69)

Tang E bao g6m tat ca cac thip the hoa hoc có mat trong he duoc
nghien cfm.
Trong he kin voi ni c6 dinh (khong bier' d6i), tfic dni = 0, cluing ta lai tra
v6 he thitc 6-60:
dG = VdP — SdT
Dieu do cho thgy phuong trinh 6-69 rat tong quat.
Gang lST luan hoan toan Wong ttt, ta thu dUoc ket qua d6i voi ham U va. H
rat tong quat nhtt sau:

dU = -PdV + TdS + dn i
au
=
,ani ,v,s,n j
(
dH = VdP + TdS + I., dn i
ax
= v an, P, S, n j

Trong cac qua trinh clang ap - clang nhiet, tit phuong trinh 6-69 ta c6:
dG = Di; dni (6-70)

Lgy tich phan ham nay se difoc:

G= ni (6-71)

\Tay, nang Wong tit do Gibbs (Enthalpy ttt do) lien he voi the hod hoc.
Truang hdp he chi có mot cgu tit , có the viet:
G = rivL (6-72)
Nhan dip 6' day, ta lai nha'c lai rang, the hod hocµ chinh la nang Wong tit
do Gibbs (Enthalpy tu do) mol (tifc la cila 1 mol chgt).
Vi G = DIA nen suy ra:
dG = [ti dni + (6-73)
Khi Bong nhgt hai phuong trinh 6-69 va 6-73 deci voi dG thi:
VdP — SdT = (6-74)

297
 M di& nay cho bidt the hod. hoc chiu anh huOng cua nhietd8, ap sugt va
thanh phgn cila he.
sugt va nhiet do hang clink, ta c6:
nidp.; = 0 (6-75)

Day la he thilc Gibbs-Duhem, cho thgy anh 'Wang cua thanh phan cua
he len thd hod hoc d nhiet d8 va ap sugt khong
Nhii the lad T = const va P = const (la trUang hop cila phan lon cac phan
ling hod hoc), the hod hoc cila cac cgu tit lien he voi nhau hal hai bidu th-Cfc:
dG" = va Enickti = 0

Nhti da thgy d cac piniong trinh 6-70 va 6-75.

Dai Wong the hod hoc 1.1 rat quan trong, vi no la th8ng s6 nhiet Ong dac
tr.- Ling do'i voi he nhidu cgu tii, nhidu pha ma sau nay khi nghien cflu sau cac
qua trinh 1S7 - hod ta lam luon sif dung toi (vi du nInt cac qua trinh can bang
trong he nhidupha, nhidu cgu tii, lai kern theo std thay doq cac thanh phdn). Cl
chttong 7 (Tgp 2) se lien he van dungµ khi xem xet can bang hoa hoc.

298
 T8n nudic tim ra
co CO ')0

8
Q
>:

Phap
CL
.0

Anh
Anh
Anh
C ...0 C C s7 ,:t _c
Ten ngucti tim ra < F — < < 0 0 CL

L. Vauquelin
7
I. Arfvedson

G. Davy
G. Davy

G. Davy
5 C
a) a)
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0 .ca
co
Nam tim ra

'10

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CO C)

1798

1808
1808

1808
C
CO ti t).
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ti CO _c
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C '40 co- (13
3

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bA 'OD
C
Magnesium

(0 C.) E
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( *) Theo DLIOC dien VietNam ( 2002)

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299
300
co

co

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in

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1 Ba
Ba Marie Sklodowska Ba Lan va

co

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Radium
va cheing Pierre Cu rie Phap

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J. Berzel ius (Thuy. Dien), W. Thuy Dien
CO
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0
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0
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vaCh. Coryell

CO
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63 Europium Europi 1901 E. Demancay Phap

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:
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.so
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70
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o t>, t>,

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305
PHU LUC 2
Ham liicing tiring din cUa cac nguyen to trong v6 qua dgt*
(% khoi lacing (Clac) theo A. P. Vin6grad6p)

Nguyen Nguyen Nguyen

Nguyen to Clac Clac Clac Clac
to to to
0 47,00 V 9,0.10-3 Dy 5,0.10-4 Lu 8,0.10-5
Si 29,50 Cr 8,3.10-s Be 3,8.10-4 Sb 5,0.10-5
Al 8,05 Zn 8,3.10-3 Cs 3,7.10-4 I 4,0.10-5
Fe 4,65 Ce 7,0.10-3 Er 3,3.10-4 Tm 2,7.10-5
Ca 2,96 Ni 5,8.10-3 Yb 3,3.10-4 In 2,5.10-5
Na 2,50 Cu 4,7.10-3 Tb 3,3.10-4 Cd 1,3.10-5
K 2,50 Nd 3,7.10-3 Sn 2,5.10-4 Ag 7,0.10'
Mg 1,87 Li 3,2.10-3 Ta 2,5.10' Os 5,0.10-6
Ti 0,45 La 2,9.10-3 U 2,5.10-4 Se 5,0.10-5
H 0,15 Y 2,9.10-3 Br 2,1.10-4 Pd 1,3.106
Mn 0,10 Nb 2,0.10-3 As 1,7.10-4 Ir 1,0.10-6
P 9,3.10-2 N 1,9.10-3 Ho 1,7.10-4 Bi 9,0.10-7
F 6,6.10-2 Ga 1,9.10-3 Ge 1,4.10-4 Pt 5,0.10-7
Ba 6,5.10-2 Co 1,8.10-3 Eu 1,3.10-4 Ru 5,0.10-7
S 4,7.10-2 Pb 1,6.10-3 W 1,3.10-4 Au 4,3.10'
Sr 3,4.10-2 Th 1,3.10-3 Mo 1,1.10-4 Te 1,0.10-7
C 2,3.10-2 B 1,2.10-3 Pt 1,0.104 Rh 1,0.10-7
CI 1,7.10-2 Sc 1,0.10-3 Hf 1,0.10-4 Re 7,0.10-8
Zr 1,7.10-2 Sm 8,0.10-4 Pr 0,9.10-4 Ra 1,0.10-1°
Rb 1,5.10-2 Ac 6,0.104 Hg 8,3.10-5 Po 2,0.10-14

* VO qua dal Om kill quyo'n (atmosphere), thug quy6n (mloc - hydrophere),

vO ran ciia qua dal (thach quyL - lithosphere).

306
PHU LUC 3
Cac gia tri Enthalpy tao thanh AH (kJ/mol), Nang hicing tut do
Gibbs AG'. (kJ/mol) va Entropy S° (J/mol,°K) tieu chudn a 298°K
(25°C) cUa mot s6 chk va ion

Chk hoac ion AH (kJ/mol) AG (kJ/mol) (J/mol,°K)

e- (k) 0 0 20,87
Bac
Ag (r) 0 0 42,702
Ag (k) 289,2 250,4 172,892
Ag+ (aq) 105,9 77,111 73,93
AgF (r) -203 -185 84
Aga. (r) -127,03 -109,72 96,11
AgBr (r) -99,51 -95,939 107,1
AgI (r) -62,38 -66,32 114
AgNO3 (r) -45,06 19,1 128,2
Ag2S (r) -31,8 -40,3 146
Bari
Ba (r) 0 0 62,5
Ba (k) 175,6 144,8 170,28
Ba2+ (k) 1649,9 -
Ba2+ (aq) -538,36 -560,7 13
BaC12 (r) -806,06 -810,9 126
BaCO3 (r) -1219 -1139 112
BaO (r) -548,1 -520,4 72,07
BaSO4 (r) -1465 -1353 123
Bo
B (thoi thang) 0 0 5,87
BF3 (k) -1137 -1120,3 254
BC13 (k) -403,8 -388,7 290
B2H6 (k) 35 86,6 232
B2O3 (r) -1272 -1193 53,8
H3B03 (r) -1094;3 -969,01 88,83

307
 Chat hoac ion Ox (kJ/mol) AG f (kJ/mol) S° (J/mol,°K)
Brom
Br2 (1) 0 0 152,23
Br2 (k) 30,91 3,13 245,38
Br (k) 111,9 82,4 174,9
Br- (k) -218,9 - -
Br (aq) -120,9 -102,82 80,71
HBr (k) -36 -53,5 198,59
Cadimi
Cd (r) 0 0 51,5
Cd (k) 112,8 78,2 167,64
Cd2+ (aq) -72,38 -77,74 -61,1
CdS (r) -144 -141 71
Calci
Ca (r) 0 0 41,6
Ca (k) 192,6 158,9 154,78
Ca2+ (k) 1934,1
Ca2+ (aq) -542,96 -553,04 -55,2
CaF2 (r) -1215 -1162 68,87
CaCl2 (r) -795 -750,2 114
CaCO3 (r) -1206,9 -1128,8 92,9
CaO (r) -635,1 -603,5 38,2
Ca(OH)2 (r) -986,09 -898,56 83,39
Ca3(F04)2 (r) -4138 -3899 263
CaSO4 (r) -1432,7 -1320,3 107
Carbon
C (graphite) 0 0 5,686
C (kim ctiong) 1,896 2,866 2,439
C (k) 715 669,6 158
CO (k) -110,5 -137,2 197,5
CO2 (k) -393,5 -394,4 213,7

308
Chk ho4c ion Ax (kJ/mol) AG (' (kJ/mol) S° (J/mol,°K)
CO2 (aq) -412,9 -386,2 121
C032- (aq) -676,26 -528,1 -53,1
HCO3 (aq) -691,11 587,06 95
H2CO3 (aq) -698,7 -623,42 191
CH4 (k) -74,87 -50,81 186,1
C2H2 (k) 227 209 200,85
C2H4 (k) 52,47 68,36 219,22
C2H6 (k) -84,667 -32,89 229,5
C3H8 (k) -105 -24,5 269,9
C4H10 (k) -126 16,7 310
C6H6 (1) 49 124,5 172,8
CH3OH (k) -201,2 -161,9 238
CH3OH (1) -238,6 -166,2 127
HCHO (k) -116 -110 219
HC00- (aq) -410 -335 91,6
HCOOH (1) -409 -346 129
HCOOH (aq) -410 -356 164
C2H5OH (1) -277,63 -174,8 161
C2H5OH (k) -235,1 -168,6 282,6
CH3CHO (k) -166 -133,7 266
CH3COOH (1) -487 -329 160
C6111206 (r) -1274,5 -910,56 212,1
CN- (aq) 151 166 118
HCN (k) 135 125 201,7
HCN (1) 105 121 112,8
HCN (aq) 105 112 129
CS2 (k) 117 66,9 237,79
CS2 (1) 87,9 63,6 151
CH3C1 (k) -83,7 -60,2 234
CH2C12 (1) -117 -63,2 179
CHC13 (1) -132 71,5 203

309
 Chat hoac ion AH (; (kJ/mol) AG (kJ/mol) S° (J/mol,°K)
CC14 (k) -96 -53,7 309,7
CC14 (1) -139 -68,6 214,4
COC12 (k) -220 -206 283,74
Cesi
Cs (r) 0 0 85,15
Cs (k) 76,7 49,7 175,5
Cs+ (k) 458,5 427,1 169,72
Cs+ (aq) -248 -282 133
CsF (r) -554,7 -525,4 88
CsC1 (r) -442,8 -414 101,18
CsBr (r) -395 -383 121
CsI (r) -337 -333 130
Chi
Pb (r) 0 0 64,785
Pb' (aq) 1,6 -24,3 21
PbC12 (r) -359 -314 136
Pb0 (r) -218 -198 68,7
Pb02 (r) -276,6 -219 76,6
PbS (r) -98,3 -96,7 91,3
PbSO4 (r) -918,39 -811,24 147
Clo
C12 (k) 0 0 223
Cl (k) 121 105 165,1
C1- (k) -234 -240 153,25
Cl- (aq) -167,46 -131,17 55,1
HCI (k) -92,31 -95,3 186,79
HCI (aq) -167,46 -131,17 55,06
C102 (k) 102 120 256,7
C120 (k) 80,3 97,9 266,1
Crom
Cr (r) 0 0 23,8
Cr' (aq) -1971 -
Cr042- (aq) -863,2 -706,3 38
Cr2072- (aq) -1461 -1257 214

310
Chat hoac ion Ax (kJ/mol) AG (kJ/mol) (J/mol,°K)
Hong
Cu (r) 0 0 33,1
Cu (k) 341,1 301,4 166,29
Cu+ (aq) 51,9 50,2 -26
Cu2÷ (aq) 64,39 64,98 -98,7
Cu2O (r) -168,6 -146 93,1
CuO (r) -157,3 -130 42,63
Fluor
F2 (k) 0 0 202,7
F (k) 78,9 61,8 158,64
F- (k) -255,6 -262,5 145,47
F- (aq) -329,1 -276,5 -9,6
HF (k) -273 -275 173,67
Hydro
H2 (k) 0 0 130,6
H (k) 218 203,3 114,6
H+ (aq) 0 0 0
H+ (k) 1536,3 1517,1 108,83
Iod
12 (r) 0 0 116,14
12 (k) 62,442 19,38 260,58
I (k) 106,8 70,21 180,67
r (k) -194,7 - -
I- (aq) -55,94 -51,67 109,4
HI (k) 25,9 1,3 206,33
Kali
K (r) 0 0 64,672
K (k) 89,2 60,7 160,23
K+ (k) 514,197 481,202 154,47
K+ (aq) -251,2 -282,28 103

311
 Chat hoac ion AH (kJ/mol) AG f (kJ/mol) S° (J/mol,°K)

KF (r) -568,6 -538,9 66,55

KC1 (r) -436,7 -409,2 82,59
KBr (r) -394 -380 95,94
KI (r) -328 -323 106,39
KOH (r) -424,8 -379,1 78,87
KC1O3 (r) -397,7 -296,3 143,1
KC104 (r) -432,75 -303,2 151
Kern
Zn (r) 0 0 41,6
Zn (k) 130,5 94,93 160,9
Zn2+ (aq) -152,4 -147,21 -106,5
ZnO (r) -348 -318,2 43,9
ZnS (r) -203 -198 57,7
Lithi
Li (r) 0 0 29,1
Li (k) 161 128 138,67
Li+ (k) 687,163 649,989 132,91
Li+ (aq) -278,46 -293,8 14
LiF (r) -616,9 -588,7 35,66
LiC1 (r) -408 -384 59,3
LiBr (r) -351 -342 74,1
LiI (r) -270 -270 85,8
Lieu huSmh
S (thoi) 0 0 31,9
S (dOn ta) 0,3 0,096 32,6
S (k) 279 239 168
S2 (k) 129 80,1 228,1
Ss (k) 101 49,1 430,211
S2- (aq) 41,8 83,7 22
HS- (aq) -17,7 12,6 61,1

312
Chgt hoac ion Atef (kJ/mol) AG f (kJ/mol) S° (J/mol,°K)
H2S (k) -20,2 -33 205,6
H2S (aq) -39 -27,4 122
SO2 (k) -296,8 -300,2 248,1
SO3 (k) -396 -371 256,66
5042- (aq) -907,51 -741,99 17
HSO4 (aq) -885,75 -752,87 126,9
H2SO4 (1) -813,989 -690,059 156,9
H2SO4 (aq) -907,51 -741,99 17
Magnesi
Mg (r) 0 0 32,69
Mg (k) 150 115 148,55
Mg' (k) 2351 -
mg2+ (aq)
-461,96 -456,01 118
MgC12 (r) -641,6 -592,1 89,63
MgCO3 (r) -1112 -1028 65,86
MgO (r) -601,2 -569 26,9
Mg3N 2 (r) -461 -401 88
Mangan
Mn (r, a) 0 0 31,8
Mn' (aq) -219 -223 -84
Mn02 (r) -520,9 -466,1 53,1
Mn04 (aq) -518,4 -425,1 190
Natri
Na (r) 0 0 51,446
Na (k) 107,76 77,299 153,61
Na+ (k) 609,839 574,877 147,85
Na+ (aq) -239,66 -261,87 60,2
NaF (r) -575,4 -545,1 51,21
NaC1 (r) -411,1 -384 72,12
NaBr (r) -361 -349 86,82
NaOH (r) -425,609 -379,53 64,454

313
 Chgt hoac ion AH °f. (kJ/mol) AG (kJ/mol) S° (J/mol,°K)

Na2CO3 (r) -1130,8 -1048,1 139

NaHCO3 (r) -947,7 -851,9 102
NaI (r) -288 -285 98,5
Nhom
Al (r) 0 0 28,3
A13+ (aq) -524,7 -481,2 -313
A1C13 (r) -704,2 -628,9 110,7
A1203 (r) -1676 -1582 50,94
Nitd
N2 (k) 0 0 191,5
N (k) 473 456 453,2
N20 (k) 82,05 104,2 219,7
NO (k) 90,29 86,6 210,65
NO2 (k) 33,2 51 239,9
N204 (k) 9,16 97,7 304,3
N205 (k) 11 118 346
N205 (r) -43,1 114 178
NH3 (k) -45,9 -16 193
NH3 (aq) -80,83 26,7 110
N2H4 (1) 50,63 149,2 121,2
NO3- (aq) -206,57 -110,5 146
HNO3 (1) -173,23 -79,914 155,6
HNO3 (aq) -206,57 -110,5 146
NF3 (k) -125 -83,3 260,6
NOCI (k) 51,71 66,07 261,6
NH4C1 (r) -314,4 -203 94,6
Oxy
02 (k) 0 0 205
O (k) 249,2 231,7 160,95
03 (k) 143 163 238,82

314
Chgt hoac ion Ax (kJ/mol) AG °t- (kJ/mol) (J/mol,°K)
OH- (aq) -229,94 -157,3 -10,54
H2O (k) -241,826 -228,6 188,72
H2O (1) -285,84 -237,192 69,94
H202 (1) -187,8 -120,4 110
H202 (aq) -191,2 -134,1 144
Phosphor
P4 (r, trang) 0 0 41,1
P (k) 314,6 278,3 163,1
P (r, dO) -17,6 -12,1 22,8
P2 (k) 144 104 218
P4 (k) 58,9 24,5 280
PC13 (k) -287 -268 312
PC13 (1) -320 -272 217
PC15 (k) -402 -323 353
PC15 (r) -443,5 ,- -
P4010 (r) -2984 -2698 229
P043- (aq) -1266 -1013 -218
HP0 42- (aq) -1281 -1082. -36
HPO 4- (aq) -1285 -1135 89,1
H3PO4 (aq) -1277 -1019 228
Rubidi
Rb (r) 0 0 69,5
Rb (k) 85,81 55,86 169,99
(k) 495,04 - -
RhE (aq) -246 -282,2 124
RbF (1) -549,28 - -
RbC1 (r) -435,35 -407,8 95,9
RbBr (r) -389,2 -378,1 108,3
RbI (r) -328 -326 118

315
 Chgt ho4c ion (kJ/mol) AG (kJ/mol) (J/mol,°K)

sa't
Fe (r) 0 0 27,3
Fe' (aq) -47,7 -10,5 -293
Fe' (aq) -87,9 -84,94 113
FeO (r) -272 -251,4 60,75
Fe2O3 (r) -825,5 -743,6 87,4
Fe304 (r) -1121 -1018 145,3
Silic
Si (r) 0 0 18
SiF4 (k) -1614,9 -1572,7 282,4
SiO2 (r) -910,9 -856,5 41,5
Stronti
Sr (r) 0 0 54,4
Sr (k) 164 110 164,54
Sr" (k) 1784 -
Sr" (aq) -545,51 -557,3 -39
SrCl2 (r) -828,4 -781,2 117
SrCO3 (r) -1218 -1138 97,1
SrO (r) -592 -562,4 55,5
SrSO4 (r) -1445 -1334 122
Thie-c
Sn (ti4ng) 0 0 51,5
Sn ()cam) 3 4,6 44,8
SnCl4 (1) -545,2 -474 259
SnO2 (r) -580,7 -519,7 52,3
Thu ngan
Hg (1) 0 0 76,027
Hg (k) 61,3 31,8 174,87
Hg' (aq) 171 164,4 -32
Hg22+ (aq) 172 153,6 84,5
HgC12 (r) -230 -184 144
Hg2C12 (r) -264,9 -210,66 196
HgO (r) -90,79 -58,5 70,27

316
 PHI) LUC 4
Danh phap chgt vo cd theo Dude dign V* Nam

1. Cac thin chat

1.1. Nguyen to
- Doc ten quo-c to da rut gon. VI du:
Ar Argon Cd Cadmi I lod Ni Nickel
As Arsen Ca Calci Li Lithi N Nitrogen
Be Beryli Cl Clor Mg Magnesi 0 Oxygen
Bi Bismuth Co Cobalt Mo Molybden P Phosphor
B Bor F Fluor Na Natri S
Sulfur
(kw huynh)
(Bang day du xem Dtioc dien Viet Nam) hoac Phu luc 1, trang 299
- Hoac doc ten da hoan town Viet hoa. Vi du:
Ag Bac (Argentum) S Ltiu huYnh (Sulfur)
Pt Bach kim (Platinum) Al Nhom (Aluminium)
Pb Chi (Plumbum) Fe Sat (Ferrum)
Cu Thing (Cuprum) Sn Thie'c (Stanium)
Zn Kern (Zincum) Hg Thu ngan
(Hydragyrum, Mercurium)
Ni Ken (Nickel) Au Vang (Aurum)
1.2. Dang thet hinh
Doc theo ten rieng.
Vi du:
Ozon (03)
Phosphor dO, phosphor trang.
Than chi, Kim citing

2. Cac hip chat

Luon doc phan mang dien tich diking triteic, phan mang dien tich am sau.

317
2.1. Oxyd
- Theo quy Binh: ten nguyen t6(s6oxy hod) oxyd
Vi du:
FeO sat(II) oxyd
Fe203 oxyd
SO2 lieu huSrnh(IV) oxyd
Nguyen to chi c6 1 trang thdi oxy hod thi kh8ng can ghi s6 oxy hod.
VI du:
A1203 Nhom oxyd
CaO Calci oxyd
Na2 0 Natri oxyd
- Ten rieng:
CO2 (khi) Carbonic, Anhydrid carbonic
CaO VOi song
SO2 (kill) Sulfurd
SO3 Anhydrid sulfuric
- Dung tin t6: Mono (1), Di (2), Tri (3), Tetra (4), Penta (5)... d6 chi s6
nguyen tit cita moi nguyen to.
Vi du:
CO2 Carbon dioxyd
P205 Diphosphor pentaoxyd
Chu y: F2 0 killing phai la oxyd thong thitang, vie't dung là OF2 va doc là
oxygen fluorid, mu6i oxygen cim acid HF.
2.2. Hydroxyd = H2O + Oxyd
2.2.1. Hydroxyd acid: E(OH),1 la cdc acid chita oxy, goi chung là oxoacid, E la
nguyen to a mite oxy hod &tong cao de ta.o tinh acid.
- Doc theo hydroxyd: ten nguyen to (s6 oxy hod) hydroxyd
VI du:
-H20
C(OH)4 _>11,CO3 Carbon(IV) hydroxyd
-2H2o
S(OH)6 H2SO4 Litu huSrnh(VI) hydroxyd
-H20
P(OH)5 ____>H3PO4 Phosphor(V) hydroxyd
(each goi nay it du'o'c see dung)

318
Doc theo quy dinh chung:
+ Nguyen to chi c6 1 mitt oxy hod (hay mot hod tri) tao acid:
Acid Ten ngUyen to + ic
VI du: H3B03 acid boric
H2CO3 acid carbonic
+ Nguyen to c6 2 mile oxy hod (hay hai hod tri) tao acid:
Mitt oxy hod th4: Acid Ten nguyen d
Mitt oxy hod cao: Acid Ten nguyen to + ic
Vi du:
H3P03 acid phosphors H3PO4 acid phosphoric
H3As03 acid arsend H3AsO4 acid arsenic
H2SnO2 acid stand H2SnO3 acid stanic
+ Nguyen to c6 3 infic oxy hod (hay ba hod tri) tao acid:
Mitt oxy hod thgp nhgt: Acid Hypo + Ten nguyen to d
Mitt oxy hod cao hdn: Acid Ten nguyen to +
Mfic oxy hod cao nhgt: Acid Ten nguyen to + ic
Vi du:
H2S02 acid hyposulfurd (ten rieng: acid sulfoxylic)
H2S03 acid sulfurs
H2SO4 acid sulfuric
+ Nguyen to c6 4 mitt oxy hod (hay bO'n hoa tri) tao acid:
Kik oxy hod thgp nhA: Acid Hypo + Ten nguyen to + cr
Mitt oxy hod cao hdn: Acid Ten nguyen to + d
Miic oxy hod cao hdn nfia: Acid Ten nguyen to + ic
Miic oxy hod cao nhgt: Acid Per + Ten nguyen to ic
Vi du:
HC1O acid hypoclord
HC102 acid clord
HC103 acid cloric
HC104 acid percloric

319
 Chu 5/:
1/ Ten nguyen to tao acid phai doc theo g6c ten qu6c t6.
2/ Tiep ddu per con de chi cac chat có lien ke-t 0-0, nhie'u oxy hdn binh 11-Wang.
Vi du:
Ba0 Bari oxyd = Ba02 Bari peroxyd
H2SO4 acid sulfuric = H2S05 acid persulfuric
H2O Hydro oxyd = H202 Hydro peroxyd
H
0 0-H
Bad
0 0 0-0-H ; \H

3/ 6 cling mot hoa tri tao acid, neu:

- It ntidc hdn: them tie'p ddu meta
- nhi6u rafeic hdn: them tie-p ddu ortho
VI du:
HP03 acid metaphosphoric; H3PO4 acid orthophosphoric
HA102 acid metaaluminic; H3A103 acid orthoaluminic
(Theo thoi quen, It sit dung tie'p ddu ngif ortho neu acid vita du nttdc
Bang ben, chang han, H3PO4 chi doc la acid phosphoric).
4/ Ming da acid la nlifing acid ma m6i 0 2- duoc thay the bai g6c acid (co
dien tich tticing &tong) ciia el1- 1'1h acid do.
Doc ten dOng da acid: dung cac tien to di, tri, tetra, penta... de chi s6 g6c
acid có trong phan tit acid.
Vi du:
H2SO4 (acid sulfuric) —> H 2S0302 —> H2S03.SO4 —> H2S2 0, (acid
disulfuric). Neu thay 20 2- bang hai g6c S04 2-, tao H2S3010 (acid trisulfuric)....
thay tie-p cac 02- duoc H2SnO3n, (acid polysulfuric).
Ting tit, H2Cr0 4 (acid cromic) —> H2Cr0302- --> H2CrO 3Cr04 —>
H2Cr2 0, (acid dicromic)
Hoac H3PO4 (acid phosphoric) —> H3P0 3.02- —> H3P03.HP042 —> H4P20,
(acid diphosphoric) —> Hn+2Pn03„,4 (acid polyphosphoric).
5/ Di da acid là nhiang acid ma m6zi 0 2- duoc thay the bai g6c acid (có
dien tich tlidng &icing) cila mot acid khac.
Doc ten di da acid: dung cac tien to di, tri, tetra, penta... cre chi s6 nguyen
tit dia nguyen to (mang &Ai 0) moi thay vao trong g6c, ten cUa acid ban ddu
duoc gift nguyen.

320
 Vi du:
H2Cr04 (acid cromic) H2Cr03.02- —> H2 Cr03.S2- —› H2 SCr03 (acid
sulfocromic)
JQ n n2 qn T (acid thingiifuri,)
.
H2SO4 (acid sulfuric) -7 —3

Ltiu huSrnh (S) con doc là thio khi thay the 0 trong cac hop chat khac.
H2CO3 (acid carbonic) —> H 2CS3 (acid trithiocarbonic).
2.2.2. Hydroxyd base: R(OH)„
R la nguyen to hay mot geic c6 mitt oxy hoa. &icing t.14.13 de tao tinh base.
—Theo quy dinh: Ten nguyen to (s6 oxy hoa) hydroxyd
Vi du:
Fe(OH)2 sat(II) hydroxyd
Cr(OH)3 Crom(III) hydroxyd
NaOH Natri hydroxyd
Ca(OH)2 Calci hydroxyd
NH4OH Amoni hydroxyd
— Ten rieng: NaOH 'cat; KOH potat; NH4 OH dung dich amoniac.
2.3. Muici caa oxoacid
— Quy dinh: ten cation(s6 oxy hoa) ten go-c acid
Acid c6 duoi d go& acid c6 duoi it
Acid c6 duoi is —> gOc acid c6 duoi at
va giit nguyen cac tie-p d&u cila acid (neu co) cs gOc acid.
Vi du:
NaC10 Natri hypoclorit Co2(SO4)3 Cobalt(III) sulfat
Ca(C102)2 Calci clorit Na2S203 Natri thiosulfat
KC103 Kali clorat KNO2 Kali nitrit
NH4I03 Amoni iodat NaNO3 Natri nitrat

Mg(C104)2 Magnesi perclorat K2Cr04 Kali cromat

Fe(Br0 4) 3 perbromat K2Cr207 Kali dicromat
KMn04 Kali permanganat K3As03 Kali arsenit
Na3As04 Natri arsenat
— Neu acid tao nhi6u muoi, c6 the doc theo cac cach truye'n thong.

321
 Vidu:
NaHCO3 Natri hydrocarbonat hoac Natri bicarbonat
KH2PO4 Kali dihydrophosphat hoac Monokali phosphat
K2HPO4 Kali monohydrophosphat hoac Dikali phosphat
K3PO4 Kali phosphat hoac Trikali phosphat
— Mu6i base: nhom OH- doc la hydroxy
VI du:
Bi(OH)2NO3 Bismuth dihydroxy nitrat
N6u cac nhom OH mat ntioc, cation tao thanh mang duoi —yl.
VI du:
-H20
Bi(OH)2NO3 BiONO3 Bismuthyl nitrat
-H20
Sb(OH)2C1 SbOC1 Stibyl clorid (Antimonyl clorid)
-21120
V(OH)4NO3 --> VO2NO3 Vanadyl nitrat
(V02)2SO4 Vanadyl sulfat
-H20
C(OH)2C12 COC12 Carbonyl clorid (Phosgen)
-H20
N(OH)2C1 NOC1 Nitrosyl clorid
-2H2o
U(OH)4(CH3 C00)2 UO2(CH3 C00)2 Uranyl acetat
NaZn(UO2)3(CH3C00)9 Kern natri uranyl acetat
2.4. Acid khang có oxy va muoi cud cluing
— Theo quy dinh: Acid hydro + ten nguyen to hoac ten nhom g6c + is
Vi du:
HF acid hydrofluoric H2S acid hydrosulfuric
(dang ngan: acid hydrosulfic)
HC1 acid hydrocloric HCN acid hydrocyanic
HBr acid hydrobromic HSCN acid hydrosulfocyanic
HI acid hydroiodic H3N acid hydronitrogenic
(clang ngan: acid hydronitric)
— Mu6i: ten cation (so oxy hod) ten nguyen to hoac ten nhom g6c + id

322
 (Chu Y: be) tigp ddu hydro, chi gilt ten nguyen to hosa'c ten nhom g6c tao
acid va them duoi id).
VI du:
FeC13 SAt(III) clorid Ca(CN)2 Calci cyanid
Na2S Natri sulfid (NH4)2S Amoni sulfid
KSCN Kali sulfocyanid OF2 Oxygen fluorid
AIN Nhom nitrid
a
Neu cac acid dang khi, doc ten nhu mot muoi cua,cation W.
VI du:
HC1 Hydro clorid
H2S Hydro sulfid
HCN Hydro cyanid
Chil Y: dUng nhdm Natri clorid (NaC1) voi Natri clorit (NaC102); ho4c
Natri sulfid (Na2S) voi Natri sulfit (Na2S03)...
2.5. Phzic chat vo cd
Van theo nguyen tac ion &tong doc trtioc, ion am doc sau.
a) Phlic cation (cdu n6i la ion &icing):
Trinh tit doc: [cdu cdu ngoai
[cdu n'Oi]: ten ion trung tam(sa oxy hod) + s6 phoi tit + ten phoi tit + o
cdu ngoai: ten anion
C/ia gidi:
+ Cac thanh phdn trong cau n6i duoc viet lien nhau. Chi có mot ch8
trong duy nhdt gifia cation (cdu n6i) va anion (cdu ngoai).
+ S6 ph6i tit duoc chi ra nha cac tign t6: mono (1), it dung/di (2)/tri
(3)/tetra (4)/penta (5)/hexa (6)....
+ Cac phoi tit trong cdu nOi sap xgp theo van alphabet, ph6i tit trung hoa
viet truoc phoi tit anion.
+ Ten cac ph6i neu la anion duoi id thi bo duoi id thay bang o; cac
anion khac them o.
VI du:
F- Fluoro CN- Cyano
Cl- Cloro C032- Carbonato
Br- Bromo S042- Sulfato
1- Iodo NO2- Nitrito

323
 Mot s6 ngoai 10 hoac c6 ten rieng:
NH3 Amino (hay ammin) CO Carbonyl
OH- Hydroxo NO Nitrosyl
H2O Aquo (hay aqua)
Cdc ph6i tit la phan tit trung hoa khong c6 duoi.
+ Ten ion trung tam doe truck ph6i tit va kern theo s6 La Ma de chi s6
oxy hod (trong dau ngoac don).
Vi du:
[Cu(H20)4]SO4 D6ng(II)tetraaquo sulfat
[Co(NE13)2C12]Cl Cobalt(III)diaminodicloro clorid
[Ag(NH3)2 ]Br Bac(I)diamino bromid
[Cr(H2 0)6](NO3)3 Crom(III)hexaaquo nitrat
b) Phitc anion (cat' nOi la ion am)
Trinh tu doc: cdu ngoai [cdu nOi]
Cdu ngoai: ten ion diidng
[Cdu ntii]: so ph6i tit + ten phOi tit + ten ion trung tam + at (s6
oxy hod)
Cdch doc va viet thanh phan cUa cdu noi gieing nhii philic cation phia
tren; rieng ion trung tam doc sau ciing c6 them duoi at va s6 oxy hod (trong
dau ngoac don).
Vi du:
K4[Fe(CN)6] Kali hexacyanoferat(II) (ten rieng: kali ferocyanid)
K3[Fe(CN)6] Kali hexacyanoferat(III) (ten rieng: kali fericyanid)
K2[HgI4] Kali tetraiodomercurat(II)
(NH4)2[Co(NH3)2 C14] Amoni diaminotetraclorocobaltat(II)
c) Phut hon hop: doc theo cdc quy dinh chung da neu tren.
Vi du:
[Co(NH3)6] [FeC14]3 Cobalt(III)hexaamino tetracloroferat(III)
d) Phfic khong mang dien tich: doc nhu phiic anion nhung ion trung tam
khong them duoi at va s6 oxy hod. Cdc thanh phan cua phfic duoc vie't lien
nhau thanh mot tit khong c6 ch6 trong.
Vi du:
[Pt(NH3)2C12] Diaminodicloroplatin
[Co(NH3)3C13] Triaminotriclorocobalt

324
PHU LUC 5
He thOng Ddn vi qu6c te" SI
(Systeme international d' Unites)

Ky hieu cim Quy ma

Dai luring Ddnvi do
ddn vi do ddn vi
1 2 3 4'

Ddn vi cd sci (cd bin) SI

1 2 3 4
Chieu dai (Length) Met (Metre, Meter) m
KhOi lung (Mass) Kilogam (Kilogram) kg
Thdi gian (Time) Giay (Second) s
Outing d6 d6ng dien
Ampe (Ampere) A
(Intensity of electric current)
Cu6ng d6 sang
Candela cd
(Luminous intensity)
Nhiet d6 nhiet d6ng VG D6 Kelvin K
Lu'png chat Mol mol .

Ddn vi phu (SI)

1 2 3 4
Goc pha'ng (Rectiliner angle) Radian rad
Goc kh6i (Solid angle) Steradian sr

Ddn vi den xugt (SI)

1 2 3 4
Dien tich (Area) Met vuong m2 (m).(m)
The tich (Volume) Met kh6i m3 (m).(m).(m)

Kh6i lu'ong rieng Kilogam tren met kh6i kg/m3 (kg).(m-3)

Liic (Force) Niuton (Newton) N (kg).(m).(s-2)
Ap suet (Pressure) Patcan (Pascal) Pa (kg).(m-1).(s-2)
Trong lu'cing rieng Niuton tren met khoi N.m-3 (N).(m-3)
Nang lu'prig (Energy),
Jun (Joule) J (N).(m-1)
Cong (Work), Nhiet lu'ong
(kg).(m2).(s3)
Cong suet Oat (Watt) W
((J).(s-1))

325
Dien tich (Charge) Culom (Coulomb) C (A).(s)

Dien the Von (Volt) V (J).(C-1 )

Tan s6 (Freequency) Hec (Hertz) Hz (s-1)

Van t6c (Velocity) Met tren gray m.s-1

Gia tOc Met trail gray binh phaong m.s-2

Cuting d6 dien tru'ong Von tren met V.rn-1

Cabrig d6 tit tru'dng Ampe tren met A.m

Momen lu'ang cac dien Culom met C.m

Sac tang be mat Niuton tren met N.m-1

Nhiet dung cUa he Jun tren d6 Kenvin J.K-1 (J).(K-1 )

Hang s6 01 Jun ten kilogam d6 Kenvin J.kg-1.K-1 (J).(kg-1 ).(K-1)

Lu'ong hap thu bac xa (Wang

lu'ong &roc hap thu bai mot don vi Jun tren kilogam J.kg-1 (J).(kg-1)
kh6i lu'ong chat &roc chieu tia)
Oat trail met vuong wm-2
Cu'ong d6 bac xa ion hoa (W).(m-2)
Hoat tinh cUa chat ph6ng xa (s6
s-1 (s-1)
tac dung phan ra trong don vi Gray 1u9 thica trEt mot
thdi gian)
Bac xa ngoai cua chat phOng xa
(s6 tiau phan hoac so Itiong tit Giay 1u9 thifa tn:f mot s-1 (s-1)
trong don vi thdi gian)

DON VI HE GAUX (CGS)

(CGS la vie't tat cita centimet, gam, second (giay))
Trong he CGS don vi co sc3 (cO ban) la centimet (1cm = 10-2 m), gam (1g
= 10-3kg) va giay (second).
Trong he nay, hang s6 dien moi la co = 1 va hang s6 tit la t0 = 1.
Trong he nay, cac dai ltiOng dien (dien tech, dien dung, dien hp, toeing do
d6ng dien, dO phan c-kic) diioc bigu thi nhu trong he CGSE; Cac dai Wong tit (tit
thong, dO cam iing tit, momen tit.) &toe bieu thi nhti trong he CGSM.
Don vi he Gaux (bloc dUng chinh trong cac bai town nguyen tit - phan

QUAN HE GItYA CAC DON VI CUA CAC HE KHAC NHAU

a) Don vi chigu dai va dien tech
1 angstrom (A°) = 1010 m
1 don vi ikxi (X) = 10 43 m
1 don vi thien van (Astronomical unit) = 1,49.1011 m

326
 1 nam dnh sang = 9,46.101' m 1 hai 1ST = 1,85.103 m
1 insa (inch) = 2,54.10-2 m 1 hecta (hectare) (ha) = 104 m2
1 fecmi = 1015 m 1 a (are) (a) = 102 m2
1 dam = 1,61.103 m 1 bac = 10.28 m2
b) Dan vi kheii Wang
1 yen = 10 kg 1 cara = 2.10-4 kg
1 to = 102 kg 1 unxia = 31,103 g
1 tan = 103 kg 1 chi = 3,75 g
1 paodo (pound) = 0,454 kg 1 ounce = 28,35g = 7,56 chi
c) Don vi ltic
1 dyn = 10-' N
1 kilogam laic (kG) = 9,81 N
d) Dan vi nang Wang, cong
1 ec (erg) = 10-7 J
1 kGm = 9,81 J
1 cab (calorie) (cal) = 4,19 J
1 eV (electron Volt) = 1,60.1019 J
1 Odt gia (W.h) (Watt hour) = 3,6.103 J
Quan he giCta cac ddn vi 'fang lucing
Turing during vol
Dan vi
J ec Cal eV
1J 1 10' 0,238846 0,624146.1019
1 ec 104 1 2,38846.10-8 0,624146.1012
1 kW.h 3,60000.106 3,60000.1013 8,5985.10' 2,24693.1025
1 cal 4,18400 4,18400.10' 0,99933 2,58143.1019
1 eV 1,60219.10-19 1,60219.10-12 3,92607.10-20 1
e) Dan vi cong suat
1 ec tren gidy (ec.s') = 10-7 W
1 kilocalo tren girl (kcal.h -1) = 1,16 W
1 ma lcic = 736 W
f) Don vi ap sugt
1 dyn tren centimet yang (dyn.cm-2) = 0,1 Pa
1 kilogam lcic tren met yang (kG.m-2) = 9,81 Pa
1 atm (atmosphere) = 1,01325.10' Pa
1 mmHg = 133 Pa

327
 Quan he gala cac clan vi dp sugt

Twin during veil

Ddn vi atm
Pa (Pascal) mmHg dyn.cm'
(atmosphere)
1 Pa 1 7,55064.10-2 10 0,986923.105
1 dyn.cm-2 0,1 7,55064.103 1 0,985923.10-6
1 atm 1,01325.105 760,000 1,01325.106 1
1 mm nu'ac 9,80665 0,0735561 98,0665 9,67841.10-4
1 mmHg 133,322 1 1333,22 1,31579.10-3

g) Ddn vi nhiOt
Don vi nhiOt ngoai dO Kelvin (K) dung trong nhiOt dOng he con co dO
Celsius (C) con goi la do bach phan va do Fahrenheit (F). Quan hO gitia chting
nhu sau:
T = T °C + 273,15

T °C = (T — 32) x 5
9
9
T = (T x — ) + 32
Thi. du:
70°C tildng iing voi (70 + 273,15) = 343,15°K

tilting in-1g voi (70 x 9) + 32 = 158°F

5
5
212°F tilling voi (212 — 32) x — = 100°C
9
h) Ddn vi khac
1 D (Dobai, Debye) = 3,33.10-3° C.m

CAC HE SO DUNG DE LAP CAC BOI SO vA ubc SO THAP PHAN

Ten goi Ky hieu Ten goi Ky hieu
Biii s6 floc s6 he s6 qudc to
WO s6 qu6c to
101 deca da 10-1 deci d
102 hecto h 10-2 centi c
103 kilo k 10' mill m
106 mega M 10-6 - micro IA
109 giga G 10-9 nano n
1012 tera T 10-12 pic6 p

328
PHV LUC 6

CAC HANG SO VAT LY

To-c dO anh sang trong chin khong, c = 2,99792.108 m.s 1

Hang s6 hgp dan, y = 6,672.10' N.m2.kg-1
Th"4 tich mot mol khi ly ttiOng d di6u ki01 chuSn (T0 = 273,16 °K,
Po = 1,01.105 Pa), Vo = 22,4138 lit.mo1-1
Hang s6 kill (van nang), R = 8,3144 J.K-1.mol 1
= 8,2054.102 lit.atm.K 1.mo1-1
= 1,98 cal.K-1.mo1-1
Hang s6 Faraday, F = 96485 C.mol l
S6 Avogadro (Avogadro), NA = 6,02204.1023 mol-1
Hang so/ Plang (Planck), h = 6,6256.10' J.s
Hang s6 Bonxman (Boltzman), k = 1,38054.10-2' J.K-1
Hang s6 Ritbe (Rydberg), RH = 109677,57 cm-1
Manheton Bo (Bohr), ptB = 9,27408 J.T-1
Manheton hat nhan, IAN = 5,05082.10.27 J.T 1
Manheton tit cita proton, i_tp = 1,41061.108 J.T-1
Manheton tif cila electron, I-le = 9,28482.10.24 J.T-1
Khoi Wong tinh cila proton, mp = 1,67265.10.27 kg
Khoi lttong tinh cua notron, mn = 1,67495.10-27 kg
Khoi luong tinh ciia electron, me = 9,10953.10' kg
Dien tich nguyen to (di"e'n tich so ding), eo = 1,6021.1049 C
= 4,80286.1040 dvtd (don vi tinh di0)
Ban kinh Bo (Bohr), r0 = 5,29167.10-9 cm
Don vi khoi Wong nguyen tit (don vi carbon, dvC) = 1,66056.10-27 kg
Khong do tuy't diii, -273,15°C hay 0°K
Diem ba cua nudc (H20), 0,01°C hay 273,16°K

329
PHV LVC 7

SIJ KHONG CHAC CHAN TRONG DO LU'ONG. CHI71 So CO NGHIA

TRONG HOA HOC. Sij CHiNH XAC, DO CHINH XAC VA SAI So

* Vi cdc thiet bi trong do Wang duoc sari xuat theo nhiing tieu chudn
nhat dinh, va vi chung ta phai phu thu6c vao cdc gide quan va ky" nang khong
hoan hao khi sit dung cluing, nen cluing ta khong bao gib' có the do du'o'c chinh
xcic hay biet mot dai luVng ncio do mot ccich chinh xcic tuy'et cuoi. VI vay, m6i
phep do deu bao gom nhung su' khong cluic chan.
Viet lira chon mot thiet bi do cu the nao do phu thu6c vAo mitt d6 chac
chin c6 the chap nhdri duoc cua pile') do trong mot tinh hang cho truoc. VI
du, khi ta mua khoai tay, chiec can dia ngtfai bdn hang do voi s6 gia 0,1 kg IA
c6 the chap nhdn duoc, no cho ta biet ring khoi Wong là ching han 2 ± 0,1 kg.
Thudt ngit "± 0,1 kg" bieu thi sit kh6ng chic chin: khoai tay can duoc tit 1,9
den 2,1 kg. Doi vdi mot phan itng, nhA hod hoc can mot cdi can c6 the do duoc
voi s6 gia 0,001 kg de c6 the thu &foe 2,046 ± 0,001 kg dia mot chat, nghia IA
trong khoang 2,045 den 2,047 kg. Nhu vay, ta biet ring kh6i Wong cila chat do
chic chin hdn khoi Wong ciaa khoai tay, mac du cliff s6 cuoi cling ben phai
van IA khong chic chin.
DO civic chan ldn hdn du'o'c chi ra bdi so- con so- nhieu hdn trong phep do.
Chung ta thu'dng u'o'c tinh chit s6 cuoi ding ben phai khi doc ket qua tr'en thiet
bi do (chang han nhu cai can, buret, nhiet ke), va sit khong chic chin nay }Dieu
thi bai dau "±". Thong thu6ng chung ta b6 dau ± va ngdm dinh c6 mot su
khong chic chin IA mot don vi d chit s6 cuoi ding ben phai.
Ccic chi? so bcio ccio trong phep do, cd chi? so chac chan va khong chac
chcin la nhring chit' so- có nghia. Co 4 chit s6 c6 nghia d ket qua 2,046 kg (cho vi
du can hod chat caa nhA hod hoc) va 2 cliff s6 c6 nghia d ket qua 2,0 kg (cho vi
du mua khoai tay). So-chit so-co nghia nhieu •hdn thi pile') do chac chan hdn.
* Qui tAc xac dinh chit se; of) nghia. Co 5 qui tic:
1. TA ca cdc chit s6 khong phai là s6 0 deu c6 nghia. Vi du: 23,9 66 3 chit
so co nghia; 15,1858 c6 6 chic s6 co nghia.
2. Chu sec 0 gicia cdc Chita s6 CO nghia IA chit s6 c6 nghia. Vi du: 100,05°C
co 5 chit so- co nghia; 207,8 km c6 4 chic s6 co nghia.
3. Chu s6 0 d ben trai chit s6 khdc khong ddu tier' IA khong CO nghia, vi
no chi (bloc dung de chi ra vi tri caa dau phdy thdp phan. Vi du: 0,074 c6 2 chit 4
so- co nghia; 0,0805 c6 3 chit s6 co nghia.

330
 4. Chit s6 0 cu6i ding ben phai dau phdy thap phan c6 nghia vi no dtioc
do hiOng. Vi du: 51,60 ml c6 4 chit so co nghia; 4,0890 g c6 5 chia so- co nghia.
5. Chia s6 0 cu6i ding ben trai da/u phay thap phan chi c6 nghia khi no
duoc do hieing. Vi du: dai Wong 6400 L co the c6 2, 3 hay 4 chit s6 c6 nghia. Cj
day, ta phai sit dung he thong ky hieu ham mu de chi s6 chuff s6 co nghia. Dai
Wong do c6 4 chic so c6 nghia neu duoc bieu thi la 6,400 x 103 L (nhung so 0 la
c6 nghia vi chang dtioc do). S6 nay se c6 3 chit s6 co nghia neu bieu thi la
6,40 x 103 L, nhung chi c6 2 chit s6 ca nghia neu dtioc bieu thi la 6,4 x 103 L.
Tit 5 qui tic trail, he thong ky hieu ham mu dac biet co ich khi xac dinh
mat dai Wong nao da duoc do mat cach chic chin [Mat ph6ng vien nha bao tide
tinh rang co b6n mtidi ngan nguai tham gia cuac di'eu hanh co the viet la
"40.000", nhung &adi gOc dO do Wang khoa hoc thi con so- nay ngu Y rang s6
nguai thuc t6 dtioc tinh vdi 5 chit s6 c6 nghia (con s6 thuc la giaa 39.999 va
40.001). Su khong chat than trong dki doan nay se ro rang hdn neu bieu thi
con s6 la 4 x 104 (chi co 1 chit s6 co nghia), bai vi no co nghia là s6 ngu ai nam
trong khoang 30.000 den 50.000]. Ngtthi ta ding hay ngArn dinh rang bat di
chit so/ 0 nao d cu6i caa mat s6 deu la c6 nghia, chang han khi ta thay 460 mL
tac la co 3 chit so c6 nghia.
[MOt con s6 (kw goi la so chinh xac vi khong c6 mat su khong chic than
nao di kem vdi chang. Vi du: mat so s6 chinh xac la mat phan ciia don vi xac
dinh: co 60 phut trong 1 giO; 1000 microgam trong 1 miligam; 2,54 cm trong
1 inch. Hoac s6 chinh xac bat ngu8n tit cia.c di4m ca the: có 10 neon tay tren 2
ban tay toi; co chinh xac 5 dOng xu trong tai ao toi...1.
* Tinh toan vdi nhiing chit s6 có nghia trong hoa hoc. Cac dad
Wong thu duoc trong thiic nghiem thuang chaa s6 Wong cac chit so c6 nghia
khac nhau. Trong mat phep tinh, ta gilt lai s6 cac chit s6 c6 nghia caa mot dai
ltiong sao cho trong ket quci khong chaa nhdu hdn so" chi? so- co nghia so vdi so
lieu ban ddu. Neu c6 qua nhieu chit s6 c6 nghia thi phai lam trim le& quci de
thu dtioc so cac chit s6 co nghia thich hop. Vi du: ta can phai tinh ty kh6i caa
mat vat lieu Ceramic. Dem can kh6i hiong 1 mdu Ceramic bang can phan tich
thu dtioc khoi Wong là 6,8531 g, lai do the tich nude thay the no trong mot
ang dong chia vach dtioc 2,6 mL. Phep do khol Wong c6 5 chit s6 co nghia,
nhung pile') do the tich chi c6 2 chit s6 c6 nghia. Vay, se bao cao ket qua kh6i
Wong rieng la 6,8531 g/2,6 mL = 2,6358 g/mL (vdi 5 chit s6 c6 nghia) hay 2,6
g/mL (vdi 2 chili s6 c6 nghia)? Kel qua vdi 5 chit s6 co nghia chat than hdn
nhieu so vdi ket qua chi co 2 chit s6 c6 nghia. Tuy nhien, neu ta khong do the
tich vdi 5 chit s6 co nghia thi khong the biet. dtioc kh6i Wong rieng vdi ski chat
than nhu vay. Do do, chi bao cao ket qua la 2,6 g/mL. Noi cach khac, phep do
lu'a'ng it chile chcin nhdt se xac dinh mac do chat than czia toan bo phep tinh
va xac dinh so- chi' so'co nghia trong ket clue( cudi cling.
* Quy tic xac dinh chit s6 có nghia trong kgt qua.
Cac quy tic sau cho biet s6 chit s6 c6 nghia trong ket qua cuoi ding caa
mat phep tinh.

331
 1. Doi vdi phep nhan va phep chia: phep do it chic chin nhat se xac dinh
d8 chic chin cUa ket qua. Vi vay, ket qud có cling so chzi so có nghia phep
do có it chit so co nghia nhdt. Vi du: ta phai xac dinh the tich mat tam graphit,
chieu dai (9,2 cm) va chieu Ong (6,8 cm) cluoc xac dinh bang thtfoc, con be day
(0,3744 cm) duoc xac dinh bang bO compa. The tich &foe tinh la:
9,2 cm x 6,8 cm x 0,3744 cm = 23,4225 cm3 = 23 cm3
Ket qua phai duoc bao cao la 23 cm3 voi 2 chic so c6 nghia vi phep do
chieu dai va chieu Ong chi chlia 2 chit s6 c6 nghia.
2. Doi vOi phep Ong va phep trii: ket qud trci ldi có cling so chi? so sau
ddu phdy vdi phep do có it chit' so sau ddu phdy nhrit. Vi du: Lay 83,5 mL nitric
trong mot ang long chia vach de ding voi 23,28 mL dung dich protein trong mot
buret. The tich tang Ong thu duoc la: 83,5 mL.-F 23,28 mL = 106,78 mL = 106,8
mL. Phai bao can la 106,8 mL voi 1 chit s6 sau dau phay, vi do la s6 chit s6 sau
dau phay dia phep do c6 it chic s6 sau dau phay nhat (83,5 mL).
* Quy tic lam trOn. Trong hau het cac phep tinh ta phai lam trOn kat
qua a c6 so chit s6 c6 nghia hay chia s6 sau dau phay thich hop. Nhu i cac vi
du tren, trong phep tinh the tich tam graphit ta da 136 tat ca cac chit so ngoai
pham vi; con trong phep Ong the tich dung dich protein ta ding 136 tat ca cac
s6 ngoai pham vi, flitting tang chit so cuai ding len mot don vi. DU& day la tap
hop cac qui tic lam trOn:
1.Neu cliff so loai 136 lon hon 5, chit so ke truoc tang mot don vi: 6,269 lam
trOn thanh 6,27 neu gift lai 3 chit so co nghia va 6,3 neu gift lai 2 chit so co nghia. •
2. Neu chit so loai 136 nh6 hon 5, chili so ke trade gift nguyen khong thay
dai: 0,2413 lam trOn thanh 0,241 neu gilt lai 3 chili so co nghia vb. 0,24 nett gill
lai 2 chit so c6 nghia.
3. Neu chit s6 loai be) là 5 thi chili s6 ke truoc tang mot don vi neu la chit
so- le va gill nguyen khong dai neu la s6 char': 25,75 lam tron thanh 25,8
nhting 25,65 lam tron thanh 25,6 (Ta thong nhat nhti vay trong moi phep tinh
de c6 su bit trii; khong nen tuST tien hic b6 lilt tang se tao nen sit thang giang
khong deu cua sai s6).
- TrtiOng hop, neu chit s6 5 con dling nhiing chili s6 0 thi tuan theo
qui tic 3 vita neu; neu chit so 5 con oiling truesc nhiing chit s6 khac 0 thi
tuan theo qui tic 1: 25,6500 lam trim thanh 25,6 nhung 25,6514 lam trOn
thanh 25,7.
4. Gill lai 1 den 2 chit s6 kh8ng c6 nghia trong cac ph6p tinh trung gian
va chi lam troll ket qua cuai ding.
- Chit ST là may tinh thtiOng cho ket qua c6 so chit sanhieu bon so chit so c6
nghia. Vi du: chia 15,6 cho 9,1 may hien len ket qua la 1,714285714... Ro
rang hau het cac chit s6 nay deu kh8ng c6 nghia. Kat qua can phai lam
trOn thanh 1,7 vi de no c6 ding chit so co nghia voi 9,1. Mat each tat nhat

332
 de thay rang nhitng chit s6 them nay khong c6 nghia la tie'n hanh 2 phep
tinh de thu &toe cac ket qua cao nhat va thap nhat c6 the c6 do su khong
chac chin a chit s6 cu6i ding dm m8i. so tren. DOi vdi (15,6 ± 0,1)/(9,1 ±
0,1) thi
15
Ket qua cao nhat la 7 = 1,7444444...
9,0
, 15,5
Ket qua thap nhat la= 1,6847826...
9,2
Vicmay tinh hien thi bao nhieu chit s6 kh8ng quan trong, ma nhtt da
thay, cac ket qua chi khac nhau chit s6 dau tien sau dau phay; vi vay ket qua
vdi 2 chit s6 co nghia ditoc bao cao la 1,7.
* Chi? so- có nghia va lila chon thigt hi do hiking.
Nhit da de cap a tren, thiet bi ta lua chon xac ctinh so chit' so co nghia ma -
ta thu check. Gia sit ta can lam thI nghiOm you cau trop mot chat lOng vdi mot
chat ran. Neu can chat ran tren can phan tich thi thu ditoc gia tri vdi 5 chit s6
c6 nghia. Dieu nay chi c6 nghia khi do the tich bang buret hay pipet chinh xac,
la dung cu do the tich vdi nhieu chit s6 c6 nghia hon Ong dong. Neu chon Ong
dong ta phai lam tr6n nhieu chit s6 hdn trong phep tinh va do do su chac chin
dia gia tri khoi tong la khong can thiet.
Tit kinh nghiem thu dive trong qua trinh lam thI nghiOm ta se hoc ditoc cach
lila chon thiet bi data tren s6 chit s6 co nghia can thiet trong ket qua cu6i ding.
* SLi chinh xac, dO chinh xac.
Su chinh xcic vet dO chinh xac let 2 khia canh ceia su' cheic chem. Trong
each not hang ngay thong ta thitang lin ion 2 thuat ngit nay, nhung trong sti
do Wang khoa hoc cluing phai ditoc phan biet.
- Sti chinh xac, hay dQ lap lai, de cap den mile dQ gin nhau gifia mot chai
cac phep do.
- Con c/6 chinh xac de cap den sit gin nhau giffa cac gia tri do ditoc va gia
tri thuc.
Khai niOm su chinh xac va do chinh xac dila den 2 loai sai so trong pile') do.
+ Sai so- ngciu nhien tao ra cac gia tri rieng biet hoac cao hon hoac thap hon
gia tri trung binh. Nhang sai so nhit vay luon xay ra, nhung d0 16n dia
no phu thuiic k-y nang cua ngitai do va su chinh xac ciia dung cu.
Phep do chinh xac co sai s6 neau nhien thap, nghia la dQ loch so vdi gia
tri trung binh nh6.
+ Sai so he thong, mat khac lai tao ra nhiing gia tri chi c6 cao hcin hay
chi c6 dial) hon gia tri thuc. Loai sai s6 nay gan lien voi hO thong thI
nghiOm, c6 the do khiem khuyet dia thiet bi do hay do mot loi c6 dinh
khi dot ket qua.

333
 Phep do chinh xac c6 sai s6 he thong nhO va nhin chung sai s6 ngau
nhien cling nhO (trong mot vai trUang hop, khi nhigu phep do c6 sai so ngau
nhien cao nhung kgt qua cu6i cling van c6 d6 chinh xac - nhu d hinh C cht0c
giai thich 6 du6i). De minh chung cho nhung trinh bay teen, ta xem xet mot vi
du thu6ng gap 6 mot qui trinh can don gian. Co 4 sinh vien, moi sinh vien
dong 25,0 mL nu& trong 6ng dong, sau do can kh6i luring nu& dong dttoc. Ngu
kh6i luong rieng cua nitric la 1,00 g/mL 6 nhiet do thi nghiem thi khoi Wong
thuc cila 25,0 mL nu6c la 25,0 g. Moi sinh vien tien hanh lam 4 lan, trii di
kh6i 'Along cua 6ng dong r8ng va ye de thi ket qua.
O hinh A va B sai s6 neau nhien nh6, nghia la sit chinh xac cao (cac kh6i
luring lap lai). Tuy nhien 6 hinh A thi ct6 chinh xac cao (cac gia tri gAn voi gia tri
thuc, tfic la 25,0 g) trong khi ci hinh B d6 chinh xac thap (6 day c6 sai sOlig thong).
o hinh C va D sai so ngdu nhi'en 16'n, nghia là sit chinh xac thap. Sai s6
neau nhien lon thuang dive goi là ct6 phan tan rOng. Tuy nhien hinh D c6 sai
s6 he th6ng (vi tat ca cac gia tri dgu cao), trong khi hinh C cho bigt gia tri
trung binh gan vdi gia tri thuc.
Sai s6 he th6ng c6 the tranh duoc, hay it nha't c6 the tinh duoc, nh6 viec
chudn dinh dung cu, nghia la so sinh voi mot chudn cta biet. Sai sod hinh B
chang han, c6 the gay ra do 6ng dong duoc san xuat kern, cho ket qua "25,0
mL" trong khi thuc to la khoang 27 mL. Neu nghi ng6 digu nay, ta c6 the nh6
chudn dinh dung cu ma digu chinh lai the tich &toe dong.
Teen day chi là nhfing khai niem hay quy tae chung, nhung rat cd ban ma
sinh vien can phai chi]. y ngay tit blioc dau trong thqc hanh hod hoc. Viec xac
dinh do chic chin, y nghia va giai thich cac ket qua. thUc nghiem phai duoc dinh
gia qua phuong phap xac suit th6ng ke todn hoc (chtta cle cap 6 day).
-;,-; 28.0 28.0
,8 27.0 s8 27.0 -
26.0 - 26.0-
e
t 25.0 - 6th 25.0 -
24.0 - Z., 24.0 -
15 23.0 c-4 23.0
0.0 0.0
1 2 3 1 2 3 4
A S6 ldn cAn C S6 lan can
28.0 28.0
st) 27.0 • • • 0
,t) 27.0
26.0 = 26 • 0
g 25.0 b4 25.0
E.
24.0 24.0
cE5 23.0 23.0
0.0 0.0
1 2 3 4
B S616n can D

334
 TAI LIEU THAM KHAO

1. Dam Trung Bao, Hod Dai cu'dng - Vo cd, NXB Y hoc (1978).
2. Hoang Nham, Hod hoc Vo co', NXB Giao duc (1999).
3. Le Thanh Phtietc, Phan TuY., Nguyen Nh;at Thi, Ly thuyet Hod
Dai cu'dng - Vo cd, Dai hoc Duoc Ha Ni)i (2003).
4. Le Thanh Phu'dc, Chuyen de phae chat trong Y - Dai hoc
D10C Ha Nc)i (2011)
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