Study on structure - Photosensitivity relationship of the 1-substituted-oxazolyl-2-substituted-phenyl-vinyl based charge transfer materials

The stable geometries of eleven types of charge transfer materials have bee n optimized by AM1 method, According to the Law's hole - injection model, t he relationship between photosensitivity (E-50) and the difference in HOMO energy of CGM and CTM(Delta ET-G) has been studied. The results indicate th at there is a linear relationship between the IgE(50) and (Delta ET-G), The relation coefficient (r = 0.837) for geometry of lower bonding energy is l arger than that (r = 0.728) for geometry of higher bonding energy. The line ar relationship is somewhat improved (r = 0.911) by adding the net charge o f the active nitrogen atom. This shows that the photosensitivity of the pho toreceptors of the same charge - generating material and the different char ge transfer materials mainly depends on the hole injection efficiency from CGL to CTL, and that the hole drift mobility in the CTL also effects its ph otosensitivity to some extent.