CM1111 Inorganic Chemistry – 1

AY 2016/2017 S1

Mass Tutorial 5
Question 1

Fill the respective MO diagrams with electrons and give the electron configuration for the following
compounds.
a) B2
b) F22-
c) P2+
Using these MO diagrams predict the (i) bond order, (ii) existence, (ii) number of unpaired
electrons, and (iv) magnetic properties of the same compounds (a-c).

Solution:
For homonuclear diatomic molecule of period 2 elements

For groups 1, 2, 13-15:

For groups 16-17:

a) B2:
B is in group 13 of the 2rd period. Each B atom provides 3 valence electrons. B2 has 6
(3x2=6) valence electrons in total.

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 CM1111 Inorganic Chemistry – 1
AY 2016/2017 S1

The electron configuration: (2s)2(2s*)2(2p)2

(i) BO = 1
(ii) B2 can exist with a single bond.
(iii) There are 2 unpaired electrons.
(iv) The compound is paramagnetic.

b) F22-: F is in group 17 of the 2rd period. Each F atom provides 7 valence electrons. Since there
are two negative charges, F22- has 16 (7x2+2=16) valence electrons in total.
The electron configuration: (2s)2(2s*)2(2p)2(2p)4(2p*)4(2p*)2
(i) BO = 0
(ii) F22- should not exist.
(iii) There is no unpaired electron.
(iv) F22- would be diamagnetic if it could exist.

c) P2+
Homonuclear molecules of the 3rd and higher periods are easily accommodated by replacing
the AOs 2s 2p with ns, np
P is in group 15 of the 3rd period. Each P atom provides 5 valence electrons. Since there is
one positive charge, P2+ has 9 (5x2-1=9) valence electrons in total.
The electronic configuration is (3s)2(3s*)2(3p)2(3p)3.
i) The BO is ½ (7-2) = 2.5,
ii) This species should be quite strongly bonded and exist.
iii) It has one unpaired electron.
iv) It is paramagnetic

Question 2:

a) Construct a simple, qualitative MO diagram for the heteronuclear diatomic molecule NO. (Note
that the - reversal is the same as in O2)
b) What is the bond order of NO and is this molecule stable?
c) Indicate the number of unpaired electrons and describe its magnetic property.
d) Draw the shape (boundary surface) of the HOMO orbital. How many node(s) which is (or are)
perpendicular to the bond axis in this orbital?

Solution:
The atomic orbitals of oxygen are lower in energy compared to those of nitrogen due to its higher
electronegativity. This in turn leads to an “unsymmetrical” MO diagram for NO.

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 CM1111 Inorganic Chemistry – 1
AY 2016/2017 S1

b) There are overall 11 valence electrons (5 from N atom and 6 from O atom) to be filled into the
MO diagram. This leads to 3 antibonding and 8 bonding electrons. The BO is thus BO = ½ (8-3) =
2.5. A BO of 2.5 should give rise to a stable NO molecule.
c) There is one unpaired electron. Thus NO is paramagnetic.
d) HOMO is 2p*
Shape: It is an antibonding orbital, it shows greater amplitude on the less electronegative atom N.
There is one node (nodal plane) which is perpendicular to the bond axis.

Question 3:

The ionization energy of Mg is 7.6 eV and Cl is 13.0 eV. 1) Construct an MO diagram for MgCl+.
2) Predict the bond order. 3) Using your diagram explain the property of the bond (i.e. polar or non-
polar, co-valent or ionic).

1) 3s(Mg) = -7.6 eV and 3p(Cl) = -13.0 eV. The 3s AO of Cl will be very low in energy, so
dose not involve in bonding and it forms non-bonding MO. There is quite big difference in
energy between the 3s AO of Mg and 3pz AO of Cl (The z axis is set as the bond axis), so
these AOs cannot mix to a great extent to form  MO. The 3px,y AOs of Cl form non-

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 CM1111 Inorganic Chemistry – 1
AY 2016/2017 S1

bonding MOs. The MO diagram is shown below. Note (The 3p AOs of Cl are degenerate
and the n3p MOs are degenerate)

There are totally 8 valence electrons (2 from Mg, 7 from Cl and one positive charge, 2+7-
1=8), so the electron configuration is (n3s)2(3p)2(n3p)4.

3p*

Mg 3s

3p n3p
3p

3s n3s
Cl

2) The BO is 1. (2-0)/2=1
3) All the filled MOs are closer in energy to the AOs of the Cl atom. In fact, the 3p MO is very
much like the 3pz AO of Cl. The n3p MOs are the 3px,y AO’s of Cl and the n3s MO is the 3s
AO of Cl. Hence, electron density is localized on the Cl atom. Looking at the electronic
configuration we find that all the electrons are essentially localized on Cl, so MgCl+ is ionic,
like Mg2+Cl-.