A Monte Carlo study of charge transfer in DNA.
A model describing charge (hole) transport in DNA has been developed. The individual charge transfer steps in the transport process are described by Marcus theory modified to account for electron delocalization over adjacent identical nucleobases. Such a modification, as well as introducing a distance dependence in the reorganization energy, is necessary in order to reach an agreement with the observed transfer rates in well defined model systems to DNA. Using previously published results as a reference for the reorganization energy and with the delocalization described within the Huckel model we obtain an excellent agreement with experimental data.
Jakobsson
Mattias
M
Department of Physics, Chemistry and Biology (IFM), Linköping University, SE-581 83 Linköping, Sweden. matja@ifm.liu.se
Stafström
Sven
S
D000225:Adenine / Q000737:chemistry; D004247:DNA / Q000737:chemistry*; D004579:Electron Transport; D009010:Monte Carlo Method
D004247:DNA; D000225:Adenine