Determine the resonance energy

Reference no: EM13774541

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 β_az = β_bz *1.2 for C-N, β_az= β_bz, *0.8 N-B and B *0.9 for B-C and β_az⁼β_bzfor 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?

Reference no: EM13774541

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