Excitation Transfer in Aggregated and Linearly Confined Poly(p-phenylene vinylene) Chains

We simulate the nonradiative excitation energy transfer in an ensemble of poly(p-phenylene vinylene) (PPV) chains the configurations of which were calculated using a random growth algorithm. The polymers are viewed as a series of phenyl−vinyl oligomers of various lengths, separated from one another through conformational defects. Initially excited chromophores, corresponding to short segments of PPV oligomers in the polymer, transfer excitations nonradiatively to longer oligomers of lower electronic energy with transfer rates as described by Förster theory. Transfer occurs in a short period of time (