Asymptotic Expressions for the Energies of Certain Long Molecules

Abstract

Asymptotic values for the increment in total π-electron energy and in resonance energy for addition of one structural unit to a long polyene and to a long polyacene molecule are derived. The values are obtained, both neglecting and including the overlap integral, by the usual LCAO molecular-orbital method. The results are compared with the corresponding increments for the lower members of each series of molecules calculated by direct summation.