Question
Explain the structure of benzene with respect to molecular orbital theory.

Answer

i. According to molecular orbital (MO) theory, the six p orbitals of six carbons give rise to six molecular orbitals of benzene.
ii. Shape of the most stable MO is as show in the figure below. Three of these π molecular orbitals lie above and the other below those of free carbon atom energies.Image
iii. The six electrons of the p orbitals cover all the six carbon atoms and are said to be delocalized. Delocalization of π electrons results in stability of benzene molecule.

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