Molecular Docking Studies in Organic Photoconductors: The Chlorodiane Blue and p-(Diethylamino)benzaldehyde Diphenylhydrazone Interface

Abstract

Molecular docking studies are reported for chlorodiane blue (CDB) and p-(diethylamino)- benzaldehyde diphenylhydrazone (DEH), two molecules that make up the interface between the carrier generation and carrier transport layers in organic photoconductors. The docking studies reveal strong interactions and close contacts between the diphenylhydrazone and diethylaniline groups in DEH with the phenylamido and hydrazone-quinone groups in CDB. © 1995, American Chemical Society. All rights reserved.