Electrochemical properties and estimation of HOMO and LUMO levels of permethylated oligosilanes with well-defined structures

Abstract

Electrochemical properties of permethylated oligosilanes with well-defined structures were investigated in correlation with their chain length. The oxidation potential of oligosilanes was found to decrease with increasing chain length. HOMO and LUMO levels were estimated using the data of N,N′-bis(3-methylphenyl)-N,N′-diphenylbenzidine as the reference. It was found that permethylated hexasilane and disilane can be good candidates of charge transporting and blocking materials, respectively. These electronic properties were discussed by MOPAC calculation.