Markovian model for photoinduced charge separation in dendritic molecules

Abstract

We study theoretically electron-transfer reactions in families of dendrimers DPm⊃Py2Fn which have been studied experimentally by Li et al. (2006). For these families, and for additional architectures, we consider two limiting scenarios depending on the number of bipyridines (with one, two, or three fullerenes) ligated around the core DPm dendritic molecule. Using the theory of finite Markov processes, our results show that electron transfer on the largest dendrimer DP48⊃Py2F3 is the most efficient.