Determine the resonance energy

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Reference no: EM13721169

 

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 ßaz= ßbz*1.2 for C-N, ßaz= ßbz *0.8 N-B and ßaz= ßbz *0.9 for B-C and ßaz= ßbz 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?

Reference no: EM13721169

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