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  Electronic configuration of a molecule

Electronic configuration of a molecule and its correlation with molecular behavior:

The distribution of electrons amongst different molecular orbitals is termed as electronic configuration of a molecule. It can provide us very significant information about the molecules as demonstrated below.

1. Stability of a molecule in requisites of a number of electrons in bonding and anti-bonding molecular orbitals:

From electronic configuration it is possible to determine the number of electrons in bonding molecular orbitals (Nb) and number of electrons in anti-bonding molecular orbitals (Na).

(a) If Nb > Na, the molecule is stable:

This is obvious since in this case the influence of bonding electrons will be greater than the influence of anti-bonding electrons, resultant in a total force of attraction.

(b) If Nb < Na, the molecule is unstable:

This is again apparent since in this case the influence of anti-bonding electrons will be greater than the influence of bonding electrons, resultant in a total force of repulsion.

(c) If Nb = Na, the molecule is unstable:

This is since in this case the influence of bonding electrons will be equivalent to the influence of anti-bonding electrons resultant in no total force of attraction.

2. Bond order and stability of a molecule or an ion:

The stability of a molecule or an ion can also be found out from the other parameter termed as bond order. Bond order might be stated as half the difference among the number of electrons in bonding molecular orbitals (Nb) and the number of electrons in anti-bonding molecular orbitals (Na) that is,

Bond Order = 1/2 (Nb - Na)

The resultant molecule or ion will be stable when Nb > Na that is, when bond order is positive. The resultant molecule or ion will be unstable when Nb ≤ Na that is, if bond order is negative or zero.

3. Relative stability of molecules or ions in terms of bond order:

The stability of a molecule or an ion is directly proportional to the bond order. Therefore, a molecule with bond order 3 (example, N2) is more stable (that is, has a higher bond dissociation energy) than a molecule with bond order 2 (example, O2) or 1 (example, Li2).

4. Nature of bond in conditions of bond order:

A chemical bond can be single, double or triple however can’t be a fraction; on the other hand bond order can be a fraction.

5. Bond length in conditions of bond order:

Bond length is determined to be inversely proportional to bond order. Bigger the bond order, smaller the bond length and vice versa.

For illustration, the bond length in nitrogen molecule (i.e., bond order = 3) is shorter than in oxygen molecule (i.e., bond order = 2), that in turn is smaller than in hydrogen molecule (i.e., bond order = 1).

                              Table: Bond order, Bond dissociation energy and bond length in N2, O2 & Li2 molecules:

947_bond disassociation.jpg


 6. Diamagnetic and paramagnetic behavior of the molecule:

If all the electrons in molecule are paired then the substance is diamagnetic in nature. On another hand, when the molecule has unpaired electrons, then it is paramagnetic in nature.

 

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