Why is cyclobutadiene anti aromatic in nature?
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Based on Huckel molecular orbital theory (HMO), cyclobutadience has 4 molecular orbitals i.e 1 BMO, 2 degenerate Nonbonding MO and 1 ABMO. When 4 pi electrons of cyclobutadience are filled in these MO’s, according to Hund’s rule, the 2 degenerate orbitals are occupied by one electron each. Due to these two unpaired electrons, cyclobutadiene is paramagnetic and so as the other antiaromatics.
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