Sigmatropic rearangements
The FMO theory
Ms. Anita

MO of Pentadienyl radical
The five p-orbitals of pentadinyl radical undergo LCAO to give five MO. Two are of lower energy and two of higher energy. One is of the same energy labelled as non bonding molecular orbital (NBMO). When odd number of MO are involved one NBMO is usually involved. Out of the five electrons in the π system four go into π1 , π2, and one into π3, which therefore will be the HOMO.
MO of allyl radical

MOof allyl radical

Similar to pentadienyl radical π2 here is the HOMO.

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Author Ms. Anita