Towards an understanding of structure–property relationships in hole-transport materials: The influence of molecular conformation on oxidation potential in poly (aryl) …

…, JAK Howard, JC Cherryman, DR Tackley…

Index: Low, Paul J.; Paterson, Michael A. J.; Yufit, Dmitry S.; Howard, Judith A. K.; Cherryman, Julian C.; Tackley, Daniel R.; Brook, Robert; Brown, Bev Journal of Materials Chemistry, 2005 , vol. 15, # 23 p. 2304 - 2315

Full Text: HTML

Citation Number: 95

Abstract

The influence of molecular conformation on the oxidation (ionisation) potential and electronic structure associated with several TPD-style hole transport materials has been assessed through a combination of single crystal X-ray diffraction, electrochemical and spectroelectrochemical methods and DFT calculations. The introduction of methyl groups can be used to tune the ionisation potential of these molecular species through a ...