Chemistry · Molecular Orbital Theory
Consider two molecular orbitals ψ1 and ψ2 along the internuclear axis of a linear symmetrical triatomic molecule A2B (arranged as A-B-A). If the atomic orbitals corresponding to the outer atoms A are φA1 and φA2, and for the central atom B is φB, which form do the molecular orbitals take assuming all coefficients are positive, where ψ1 is completely bonding and ψ2 has a node at the central atom?
- 1ψ1 = a1φA1 + b1φB + a1φA2 ψ2 = a2φA1 - a2φA2✓
- 2ψ1 = a1φA1 + b1φB + c1φA2 ψ2 = a2φA1 - b2φB + c2φA2
- 3ψ1 = a1φA1 + b1φB + a1φA2 ψ2 = a2φA1 - b2φB + a2φA2
- 4ψ1 = a1φA1 + b1φB + c1φA2 ψ2 = a2φA1 - b2φB - c2φA2
Correct answer
ψ1 = a1φA1 + b1φB + a1φA2 ψ2 = a2φA1 - a2φA2
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