The HOMO of π - molecular orbitals of methylazide is

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CSIR-UGC (NET) Chemical Science: Held on (26 Nov 2020)
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Explanation:

  • All the three p orbitals of methylazide () which form π-bonds of one carbon atom and two nitrogen atoms should lie in the same plane to have the effective overlap.
  • In methylazide one negative charge and a conjugated double bond will contribute a total of 4 π-electrons.   
  • From the MO theory, the three π atomic orbitals should result in 3 π molecular orbitals and they are arranged according to their energy content as shown below:  

  • The ground state (G.S) configuration of methylazide is , where  is the highest occupied molecular orbital (HOMO) of methylazide. It has one nodal plane and the Nodal plane passes through the N atom in the HOMO of methylazide.

Conclusion:

  • The HOMO of π - molecular orbitals of methylazide is

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