Journal of Chemical Physics, Vol.103, No.14, 6253-6256, 1995
A Simple-Model for Conjugation Lengths in Long Polyene Chains
By assuming that the conjugation length of a long polyene chain may be broken into segments (for example, by twists about the single bonds) and that the energy to create such a conjugation break is independent of where it occurs, a conjugation length distribution is derived. For long chains this distribution is dominated by short fragments, in agreement with conclusions drawn from measured absorption spectra.