Which of the following linear combination of atomic orbitals will lead to formation of molecular orbitals in homonuclear diatomic molecules [internuclear axis in z-direction] ?

A. $2{p}_{z}$ and $2{p}_{x}$

B. 2s and $2{p}_{x}$

C. $3{d}_{xy}$ and $3{d}_{{x}^{2}-{y}^{2}}$

D. 2s and $2{p}_{z}$

E. $2{p}_{z}$ and $3{d}_{{x}^{2}-{y}^{2}}$

Question

Which of the following linear combination of atomic orbitals will lead to formation of molecular orbitals in homonuclear diatomic molecules [internuclear axis in z-direction] ?

A. $2{p}_{z}$ and $2{p}_{x}$

B. 2s and $2{p}_{x}$

C. $3{d}_{xy}$ and $3{d}_{{x}^{2}-{y}^{2}}$

D. 2s and $2{p}_{z}$

E. $2{p}_{z}$ and $3{d}_{{x}^{2}-{y}^{2}}$

YESPYQ · Accepted Answer

Correct answer: b) D Only. Only option D $\left(2s\right.$ and $\left.2{p}_{z}\right)$ leads to effective molecular orbital formation along the z -axis. The 2 s orbital is spherically symmetric and can overlap with the $2{p}_{z}$ orbital, which lies along the internuclear axis. This type of overlap can contribute to $\sigma$ molecular orbital formation.

Which of the following linear combination of atomic orbitals will lead to formation of molecular orbitals in homonuclear…

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