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Q.

If sp mixing does not occur in B2 molecule, then which of the following must be false for this molecule? (Assume Z-axis as internuclear axis)

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a

Paramagnetic

b

LUMO is π2px or π2py

c

Bond order =1

d

HOMO is σ2pz

answer is A.

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Detailed Solution

The molecule is not paramagnetic.

The axis that joins the nuclei of atoms bound to one another in a molecule is known as the bond axis or internuclear axis. Any axis can be used as an internuclear axis; however, if the z axis is used, there is zero overlap between the s and the px, py, or pz orbitals.

Total number of electrons = 10 for B2

(σ,1s)2σ1s2(σ2s)2σ2s2=σ2Pz2

Here, Bond order is 1.

Hence, the correct option is A

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