Joint experimental and theoretical characterization of the electronic structure of 4,4′-bis(N-m-tolyl-N-phenylamino)biphenyl (TPD) and substituted derivatives

被引：47

作者：

Cornil, J

Gruhn, NE

dos Santos, DA

Malagoli, M

Lee, PA

Barlow, S

Thayumanavan, S

Marder, SR

Armstrong, NR

Brédas, JL

机构：

[1] Univ Mons, Lab Chem Novel Mat, Ctr Mol Elect & Photon, B-7000 Mons, Belgium

[2] Univ Arizona, Dept Chem, Tucson, AZ 85721 USA

[3] CALTECH, Beckman Inst, Pasadena, CA 91125 USA

来源：

JOURNAL OF PHYSICAL CHEMISTRY A | 2001年 / 105卷 / 21期

关键词：

D O I：

10.1021/jp003142o

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

We investigate by means of gas-phase ultraviolet photoelectron spectroscopy complemented by quantum-chemical calculations how the frontier levels of the 4,4'-bis(N-m-7tolyl-N-phenylamino)biphenyl (TPD) molecule are affected upon substitution of the terminal aryl rings with methoxy groups or fluorine atoms. These results provide strategies to modulate energy barriers at metal/organic or organic/organic interfaces involving TPD and its derivatives; it is shown that the change in the energy of the HOMO level of TPD upon derivatization is strongly affected by inductive effects taking place in the a skeleton.

引用

页码：5206 / 5211

页数：6