Electronic structures of permethyloligosilane radical cations at the ground and low-lying excited states

The electronic structures at the ground and low-lying excited states of permethyloligosilane radical cations, Sin(CH3)2n+2+ (n = 4-7), have been investigated using DFT and ab initio calculations. Models of hole transport in oligosilane radical cation are proposed on the basis of theoretical results. The hole transport ay thermal condition and hole transport caused by photo-irradiation have been proposed.