Q79 · CSIR-NET Chemistry, June 2014

Paper: CSIR-NET June 2014 · Subject: Physical Chemistry · Chapter: Quantum Chemistry · Topic: Huckel MO Theory · Marks: 2 · Difficulty: Medium

If $\phi=0.8 \phi_{\mathrm{A}}+0.4 \phi_{\mathrm{B}}$ is a normalized molecular orbital of a diaotmic molecule AB, constructed from $\phi_{\mathrm{A}}$ and $\phi_{\mathrm{B}}$ which are also normalized, the overlap between $\phi_{\mathrm{A}}$ and $\phi_{\mathrm{B}}$ is
(a)0.11
(b)0.31
(c)0.51
(d)0.71
Answer
Answer: B ✓ checked by 4AB · confidence high

The source book printed no answer; this one was worked out and checked — see the explanation.

Explanation
Normalisation: c_A² + c_B² + 2c_Ac_B S = 1 ⇒ 0.64 + 0.16 + 0.64S = 1 ⇒ S = 0.31.

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