huckel theory benzene and azaborinequestion 1 set up, Ask an Expert

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Huckel theory: Benzene and Azaborine

Question 1: Set up the Energy matrix for C₆H₆.

Question 2: Solve for the molecular orbital's and normalization coefficients.

Question 3: Determine the resonance energy.

Question 4: C₄BNH₆ is isoelectronic to C₆H₆. If ß_az= ß_bz*1.2 for C-N, ß_az= ß_bz *0.8 N-B and ß_az= ß_bz *0.9 for B-C and ß_az= ß_bz for C-C bonds. What are the new molecular orbital's?

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

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