The Possibility of Developing Charge Control Agents using a Molecular Orbital Method

Abstract

The possibility of a molecular orbital method (MOM) in developing charge control agents has been investigated. MOM showed that the relation between the ionization potential and the triboelectric charging quantity of model toner containing guanidine derivatives was linear. The positive-charging ability of guanidine derivatives was affected by the electron density on the SP² type nitrogen atom. In the case of polymers containing organic substances, MOM indicated that the state located around the middle energy level between HOMO and LUMO of organic substances acted as the triboelectric charging state. These results suggested that the MOM is very useful for the development of charge control agents because MOM can estimate their triboelectric charging quantity and give the direction for their molecular design.