Abstract
By Hückel molecular orbital (HMO) theory, the calculation of the total energy of all π -electrons in conjugated hydrocarbons can be reduced to that of E ( G ) = | λ 1 | + | λ 2 | + ⋯ + | λ n | , where λ i are the eigenvalues of the corresponding graph G . Denote by Ψ n the set of all fully-angular polyhex chains with n hexagons. In this paper, we show that H n has the minimum total π -electron energy among chains in Ψ n , where H n is the helicene chain.
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