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Chemical Bonding And Molecular Structure

Question
CBSEENCH11005782

Draw the molecular orbital diagram for:
(i) Be2
(ii) B2 and predict bond order and magnetic properties.

Solution

(i) Be2 molecule: The electronic configuration of Be(Z = 4) is:
4 Be 1s2 2s1
Be2 molecule is formed by the overlap of atomic orbitals of both beryllium atoms.
Number of valence electrons in Be atom = 2
Thus in the formation of Be2 molecule, two outer electrons of each Be atom i.e. 4 in all, have to be accommodated in various molecular orbitals in the increasing order of their energies.
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The molecular orbital electronic configuration,
Be subscript 2 colon space open square brackets KK left parenthesis straight sigma 2 straight s right parenthesis squared space left parenthesis straight sigma asterisk times 2 straight s right parenthesis squared close square brackets
Here space space space straight N subscript straight b space equals space 2 comma space space space straight N subscript straight a space equals space 2
Bond space order space space equals space 1 half open square brackets straight N subscript straight b space minus space straight N subscript straight a close square brackets space equals space 1 half left square bracket 2 minus 2 right square bracket space equals space 0
Magnetic property: Since bond order is zero, Be2 molecule does not exist. It is diamagnetic due to the absence of any unpaired electron.
B2 molecule: The electronic configuration of B atom (Z = 5) is
straight B presubscript 5 space colon thin space 1 straight s squared space 2 straight s squared space straight p subscript straight x superscript 1

B2 molecule is formed by the overlap of atomic orbitals of both boron atoms. A number of valence electrons of each boron atom = 3.
In the formation of B2 molecule, three valence electrons of each boron atom i.e. 6 in all, have to be accommodated in various molecular orbitals in the increasing order of their energies.



MO electronic configuration:
straight B subscript 2 colon space open square brackets KK left parenthesis straight sigma 2 straight s right parenthesis squared space space left parenthesis straight sigma asterisk times 2 straight s right parenthesis squared space left parenthesis straight pi 2 straight p subscript straight x right parenthesis to the power of 1 space left parenthesis straight pi 2 straight p subscript straight y right parenthesis to the power of 1 close square brackets
Bond order:  Here Nb = 4,   Na = 2
Bond order  = Bond space order space equals space 1 half open square brackets straight N subscript straight b space minus space straight N subscript straight a close square brackets space equals space 1 half open square brackets 4 minus 2 close square brackets space space equals space 1
The two boron atom is B2 molecules are linked by one covalent bond.
Magnetic properties: Since each straight pi2px and straight pi2py MO contains unpaired electron, therefore B2 molecule is paramagnetic.