Linear Combination of Atomic Orbitals | JEE Main PYQ | Chemical Bonding
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) 2pz and 2px
(B) 2s and 2px
(C) 3dxy and 3dx²−y²
(D) 2s and 2pz
(E) 2pz and 3dx²−y²

Correct Answer: D only

Explanation

For effective linear combination of atomic orbitals (LCAO), the orbitals must have the same symmetry about the internuclear axis and comparable energies.

When the internuclear axis is along the z-direction, orbitals like 2s and 2pz have proper symmetry to overlap and form molecular orbitals.

Other given combinations either differ in symmetry or orientation, hence do not form molecular orbitals.

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JEE Main Chapter-wise PYQs – Chemistry
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