Thuyt lai ha orbital :

Cc kiu lai ha AO :
Lai ha sp : 1 AO s trn ln vi 1 AO p to ra 2 AO lai ha nm thng hng vi nhau to thnh gc 180 0

s
p
2 AO lai hoa
sp
- Lai hoa sp2 : 1 AO s tron lan vi 2 AO p tao ra 3 AO lai hoa sp 2 nam trong
cung mat phang tao vi nhau nhng goc bang nhau va bang 120 0

s
2 AO p
3 AO lai ha sp2
3
- Lai ha sp : 1 AO s trn ln vi 3 AO p to thnh 4 AO lai ha hng theo 4 nh ca hnh t din u,
cc gc HCH bng nhau v bng 109028

AO p

4 AO lai ha sp3
Ngoi cc kiu lai ha trn cn cc kiu lai ha khc nh : dsp 2 (hnh vung) sp3d2 (hnh bt din u)
iu kin lai ha bn :
Nng lng cc orbital tham gia lai ha phi xp x nhau.
Mt electron ca AO tham gia lai ha phi ln
Mt xen ph ca cc AO lai ha vi cc AO ca cc nguyn t khc tham gia lin kt phi ln
to thnh lin kt bn.
c im AO lai ha
S lng AO lai ha thu c bng tng s AO tham gia lai ha
Cc AO lai ha c cng mc nng lng
Mi AO lai ha gm 2 phn: phn n rng v phn thu hp; hai phn ny cch nhau mt nt ti ht nhn
nguyn t (phn n rng thng c du +, phn thu hp thng c du -)
Mi AO lai ha c phn b trn mt trc xc nh i qua ht nhn nguyn t (c th trng hoc khng
trng vi trc ta ecac). Ngi ta ni AO lai ha c tnh i xng trc
T cc iu kin trn ta c th thy : Trong mt chu k hiu nng lng ca AO s vi AO p tng ln khi i t
u n cui chu k nn kh nng tham gia lai ha gim xung. Khi tng kch thc nguyn t, kh nng lai
ha ca cc AO ha tr gim xung.
* Lin kt xich ma lin kt pi :
a. Lin kt xich ma :
L lin kt cng ha tr hnh thnh do s xen ph 2 orbital dc theo trc ni 2 ht nhn nguyn t. Do mt
xen ph cc orbital ln nn lin kt xich ma bn (c nng lng lin kt ln)
b. Lin kt pi :
L lin kt hnh thnh do s xen ph cc orbital p, vng xen ph cc orbital p vung gc vi trc ni 2
ht nhn nguyn t. S xen ph ny gi l s xen ph bn. Do mt xen ph cc orbital p thp nn lin kt
pi km bn hn lin kt xich ma.
Cc kiu xen ph trc ca lin kt xich ma :
Xen ph s s : TD : phn t H2
Xen ph s p : TD : phn t HCl, HF, HI

 Xen ph p p : TD : phn t Cl2, Br2

Cc kiu xen ph bn to lin kt pi :

M hnh cc phn t : CH4, C2H6, C2H4, C2H2

Nguyn t C
ha sp

lai ha sp3

Nguyn t C lai

Nguyn t C lai ha sp
3/ Cu trc hnh hc ca phn t :
Cng thc nguyn ca mt cht cho ta bit tng qut s nguyn t m n c. Bit cng thc ny
l cn thit nhng r rng l khng tin on nhng tnh cht ca n, v nhiu tnh cht l suy trc tip t
cc c trng hnh hc ca phn t.
TD : Cc phn t H2O, H2S c dng gc, cho nn trng thi lng chng l dung mi tt i vi cc cht
ion, trong khi cc cht tng t chng nh CO2, CS2 c dng thng v ch lm dung mi cho cc phn t cng ha
tr, Trong thc t, bit s m nguyn t X kt ho vi nguyn t trung tm A cha xc nh cu trc phn t
AXm, v vhnh s electron ha tr tng cng mi ng vai tr quyt nh.
Ci tin m hnh Lewis, thuyt VSEPR (Valen Shell Electronic Pair Repulsions) da trn s y cc cp
electron ca nhng lp ha tr cho php xc nh cu trc hnh hc ca phn t.
L thuyt VSEPR :
Xut pht t tng a ra ln u bi N. Sidgwick v H.Powel l : cc cp electron ha tr ca mt
nguyn t lun y ln nhau. R.J. Gillespie a ra qui tc tin on s nh hng cc lin kt xung quanh 1
nguyn t gi l nguyn t trung tm ca phn t hoc ion.
M hnh Gillespie l mt qu trnh suy lun n gin v hiu qu trn c s sau :
Mi cp electron lin kt v khng lin kt v c khi l electron c thn lp ngoi u c tr mt cch
thng k cng mt khong cch xc nh so vi ht nhn, nh l chng c xp trn b mt hnh cu m nhn
mm tm. Cc electron tng ng y ln nhau v nh v nhng v tr lm cc tiu lc y electron.
V l do i xng, cc cp electron lp ngoi ca nguyn t trung tm to ra nhng m hnh hnh hc
u m ty trng hp l ni tip trong vng trn hay trong hnh cu.
Trong m hnh VSEPR mt cp electron t do (hay 1 electron c thn) cng c coi nh l nhng lin
kt gia cc nguyn t. V trc lin kt khng ph thuc vo lin kt l n hay bi, nn ch cn bit tng s
nguyn t lin kt vi nguyn t trung tm m khng cn bit n bn cht ca lin kt ny.
Nguyn t cn nhiu electron hn to octet c gi l nguyn t trung tm A
Phi t c hai loi:
* Nguyn t lin kt ha hc vi A c k hiu l phi t X
Ta c cng thc AXm (m 1, nguyn). TD: CO2, BeH2 thuc dng AX2, BH3 thuc dng AX3
* i electron cha tham gia lin kt ca nguyn t trung tm (nu c) c gi l phi t E
Trong cc iu kin nh trn cng thc VSEPR ca hp cht biu th bng cch vit :
AXmEn trong : m l s nguyn t X lin kt vi nguyn t trung tm A.
n : l s thc th khng lin kt (i electron t do v electron c thn) m n c
Tng s : (m + n) quyt nh cu trc hnh hc ca phn t
C mt s phng php khc nhau gii thch cu trc hnh hc ca phn t nh : Phng php m
hnh s y gia cc i electron v ha tr VSEPR, phng php m hnh lin kt b un cong hoc phng

php m hnh lai ha orbital nguyn t. Sau y ta xt cu trc hnh hc ca phn t trn c s m hnh lai ha
orbital nguyn t.
TD :
Dng AX2E0 c (m + n) = 2 c cu trc thng, nguyn t trung tm c kiu lai ha sp nh phn t : BeH 2,
CO2, ZnCl2
Cu trc thng
Dng AX3E0 c (m + n) = 3 c cu trc tam gic, nguyn t trung tm c kiu lai ha sp 2 nh phn t
BF3, SO3, CO32-
Cu trc tam gic

Cu trc t din

Dng AX4E0 c (m + n) = 4 c cu trc t din, nguyn t trung tm c kiu lai ha sp 3 nh : CH4, CF4,
SO , NH4+
Dng AX5E0 c (m + n) = 5 c cu trc dng lng thp tam gic, nguyn t trung tm c dng
lai ha sp3d nh: PCl5, PF5
24

Di y l mt s m hnh cu trc hnh hc ca phn t : AXnEm

Dng
cng
thc

Tng
(m +
n)

S
cp e
khng
lk

Kiu lai
ha

AX2E0

sp

AX3E0

sp2

Cu trc hnh hc

ng thng

Tam gic phng

AX2E1

sp2

Cc cht minh ha

CO2, C2H2, BeH2, BeCl2, ZnCl2

SO3, BF3, AlCl3, O3, NO2, C2H4,
CO32-, NO3SO2, O3

Gc
AX4E0

CH4, NH3, NH4+, SO42-, CCl4,

ClO4-, PO43-

sp3
T din

AX3E1

sp3

NH3, PH3, AsCl3

Chp thp

AX2E2

AX5E0

sp3

sp3d

H2O, H2S, SF2, SCl2, F2O

Gc

PCl5, PF5
lng chp

AX6E0

Sp3d2

SF6, AlF63-, SiF62Bt din

BI TP

1. Hy cho bit kiu lai ho ca cc nguyn t v loi lin kt (, ) trong cc hp cht sau:
Cl-CH2-CH=O; CH2=CH-CN; CH2=C=O
2. V sao nc li nh hn nc lng?
Do c lin kt cu Hidro nn nc c cu trc c bit
(cc nguyn t oxi nm tm v 4 nh ca 1 t din u).
Mi ngt H lin kt vi chnh 1 nguyn t oxi v lin kt
cu hidro vi 1 nguyn t oxi khc. Cu trc nyxp nn
t khi nh. Khi tan thnh nc lng, cu trc ny b ph
v nn th tch gim t khi tng ln.
3.Hy v r rng dng hnh hc ca 3 anionNiCl42-,PtCl62-,PdCl42-v cu trc ca phn t
Pd(NH3)2Cl2. Ghi ng k hiu lp th v gii thch.
AnionNiCl42-c cha Ni2+ vi cu hnh electron ngoi cng l 3d8 v s phi tr 4 nn c cu
Lai ha sp3 T din, thun t.

trc:

Anion PtCl62-c cha Pt4+vi cu hnh e ngai cng l 5d6 v s phi tr 6 nn c cu trc
Lai ha d2sp3,c hnh tm mt, nghch t.
Anion PdCl42-c cha Pd2+vi cu hnh e ngoi cng l 4d8 v s phi tr 4 nn c cu trc

Lai ha dsp2,c hnh vung phng, nghch t.

Cng nh PdCl42-,
cu hnh hnh hc.

Pd(NH3)2Cl2 c cu trc vung phng.Tuy nhin do hai phi t khc nhau nn c 2

Nng lng trng tinh th ln hoc nh ph thuc vo:

- phi t:CN->NO2->NH3>H2O>OH->F->Cl->Br->I-.
TRNG TINH TH LN TH S SPIN NH ,THUN T T
-Ion trung tm c in tch cao th TRNG TINH TH CNG LN
4.. Hy cho bit cu trc hnh hc ca cc phn t sau: (nu r trng thi lai ha ca nguyn t trung
tm)
PtCl42, [Ni(CN)4]2, SF6, [FeF6]3, PtCl62 ,[Fe(CN)6]4.
Gii: * PtCl42, [Ni(CN)4]2 lai ha dsp2 nn u c 4 cp e lin kt v c cu trc vung phng, gc lin

kt XAX
= 900.
* SF6, [FeF6]3 lai ha sp3d2 v PtCl62 ,[Fe(CN)6]4 lai ha nn u c 6 cp e lin kt v c cu
trc bt din u.

5.
1) Cho cc phn t sau: POF3 ; BF3 ; SiHCl3 ; O3. Nu trng thi lai ha ca cc nguyn
t trung tm v v cu trc hnh hc ca cc phn t trn.
2) Kim loi ng c cu trc mng tinh th kiu lp phng tm din.
- Cho bit s nguyn t ng cha trong t bo s ng ny.
- Tnh di cnh lp phng a (nm) ca mng tinh th, bit rng nguyn t ng c bn
knh bng 0,128 nm.

p n
Cng thc phn t

Trng thi lai ha ca

nguyn t trung tm

Cu trc hnh hc
O

sp3

POF3

BF3

sp2

HSiCl3

sp3

O3

sp

F
F

F
H

Si Cl
Cl

Cl
..
O
O

2)
1

- S nguyn t Cu = 8 8 + 6 2 = 4
(0,5 )
- Xt ng cho ca 1 mt, ta c di ng cho = 4 rCu = a

 a=

4 rCu
2

4 0,128
2

= 0,362 nm

(0,5
6.Khi nghin cu cu trc ca PCl5(r) , PBr5(r) trng thi tinh th bng tia X ngi ta thy:
a) PCl5 gm cc ion [PCl4]+; [PCl6] phn b trong tinh th.
b) PBr5 gm cc ion [PBr4]+; Br .
Hy cho bit cu trc khng gian ca cc phn t v gii thch ti sao c s khc nhau trn?
Gii: a) Nguyn t P trong PCl5 v PBr5 u trng thi kch thch, lai ha sp3d phn t c cu trc
lng thp tam gic(hai lin kt trc di hn cc lin kt xch o).Nguyn t Ptrong[PCl6]
trng thi kch thch (lai ho sp3d2) c cu trc bt din.

b) Khng c qu trnh PBr5 + Br PBr 6 do yu t lp th

7.Dng cu trc ca ion SO32 gii thch kh nng phn ng:
2Na2SO3 + O2 2Na2SO4. v Na2SO3 + S Na2S2O3.
Gii: Nguyn t trung tm S trng thi kch thch th nht (c 4 e c thn) v lai ha sp3, pht sinh
lin kt do s xen ph p d ion SO 32 c cu trc thp. S c mt obital sp3 hai electron nguyn
t S trung tm to kh nng cho ion SO 32 kt hp c vi O v S to thnh SO 24 v S2O 32 .
8.. S hnh thnh lin kt, hnh dng v t tnh ca cc phc [Ni(CN)4]2 v [NiCl4]2 c khc nhau
khng? Gii thch. Bit rng tng tc gia Ni2+ vi CN mnh hn so vi Cl .
Gii: - Do tng tc gia Ni2+ v phi t CN kh mnh nn 2e c thn AO-3d c ghp i (xut
hin 1 trng AO-3d). Cc AO trng ny s nhn cp e t do ca phi t CN to phc, cc AO
ny b lai ho dsp2 cc e ghp i nn phc nghch t v c dng vung phng.
Do ion Cl c bn knh ln, tng tc vi ion trung tm yu nn 2e c thn AO-3d vn gi
nguyn. Cc cp e t do ca phi t Cl s chim cc AO trng 4s v 4p to phc, cc AO ny
lai ho sp3 s e c thn vn gi nguyn nn phc thun t v c dng t din.
9.Hy cho bit: cu to lewis; dng lai ha(nu c); hnh dng phn t theo m hnh VSEPR; m men
lng cc ca mi phn t sau: SF4; HClO2; HOCl; ICl 4 ; IF7; BrF5; HNO3; C2H6.
+

2) C benzen, pyridin, borzol (B3N3), ion pyrilium (C5H5O ), Furan (C4H4O), Pyrol (C4H5N).
Hy xc nhn rng chng u l cht thuc h thm theo ng qui tc Hucken 4n+2 (c minh ha bng
cng thc cu to thu gn)
1) * SF4: (AX4E) ; lai ha sp3d; hnh dng ci bp bnh; 0 ; 1 i e khng lin kt c phn b
trong mt phng kt qu to ra hnh ci bp bnh
* HClO2: (AX3E2) lai ha sp3d; hnh dng ch T; 0 ; 2 i e ring c phn b trong mt phng, 3
i e lin kt to ra 3 lin kt A X sp xp thnh hnh ch T.
* HClO : (AX2E3) lai ha sp3d ; hnh dng ng thng; 0 ; 3 i e ring c phn b trong mt
phng, cn 2 i e lin kt to 2 lin kt A X c phn b trn trc vung gc vi mt phng trn.
Hai lin kt A X nm trn ng thng nn phn t c dng ng thng.
* ICl 4 : (AX4E2) ; hnh dng vung phng; = 0 ; theo m hnh sc y cp e trong v ha tr : 2 i e
ring c phn b trans- so vi nhau. Do 4 cp e lin kt to 4 lin kt A X trong mt phng
phn t c dng vung phng.
* IF7: (AX7), lai ha sp3d3, dng lng chp ng gic ; 0 ;
* BrF5: (AX5E) lai ha sp3d2, hnh dng thp vung, 0 ; 5 i e lin kt c phn b 4 i trong
mt phng v mt i trn trc to ra hnh dng thp vung. Mt i e khng lin kt c phn b pha
cn li ca trc. Do s bin dng nh vy nn di lin kt ngang v trc khng tng ng hnh
hc.

* HNO3: (AX3) lai ha sp2, hnh tam gic phng, 0 ; 3 i e c phn b trn mt phng l 3 nh
ca tam gic u.
* C2H6: (AX4) lai ha sp3, hnh t din, 0 ; 4 i e c phn b trn 4 nh ca t din u, tm t
din l A.
X

X
X
A

E
X

X
X

(AX4E)

(AX3E2)

(AX2E3)
X

E
X

X
A

A
X

X
E

E
(AX4E2)

(AX5E)

2) T 4n + 2 nu n = 1 th 4 + 2 = 6 (e) cc h cho u ph hp.

C
C

Benzen

N
Pyridin

N
Borazol

O
ion pyrilium

C
Furan

C
Pyrol