Determine the resonance energy


Assignment:

1. Set up the Energy matrix for C6H6.

2. Solve for the molecular orbitals and normalization coefficients.

3. Determine the resonance energy.

4. C4BNH6 is isoelectronic to C6H6. If βaz= βbz*1.2 for C-N, βaz= βbz *0.8 N-B and , βaz = βbz,*0.9 for B-C and βaz= βbz, for C-C bonds. What are the new molecular orbitals?

5. Is the resonance energy higher or lower than benzene? What can one say about the aromatic character?

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Chemistry: Determine the resonance energy
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