A theoretical and experimental study of cyano- and alkoxy-substituted phenylenevinylene model compounds

被引：34

作者：

de Souza, MM

Rumbles, G ^{[1
]}

Gould, IR

Amer, H

Samuel, IDW

Moratti, SC

Holmes, AB

机构：

[1] Univ London Imperial Coll Sci Technol & Med, Dept Chem, London SW7 2AY, England

[2] Univ Durham, Dept Phys, Durham DH1 3LE, England

[3] Melville Lab Polymer Synth, Cambridge CB2 1EW, England

来源：

SYNTHETIC METALS | 2000年 / 111卷

基金：

英国工程与自然科学研究理事会;

关键词：

poly(phenylenevinylene) and derivatives; photoluminescence; UV-VIS absorption; ab-initio quantum chemical methods and calculations;

D O I：

10.1016/S0379-6779(99)00415-4

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

We present a theoretical and experimental investigation of methoxy- and cyano-substituted p-phenylenevinylene model compounds. The compound containing both the alkoxy and cyano substitution exhibits a drop in the quantum yield relative to the singly-substituted alkoxy or alkyl compounds. In addition the emission spectrum loses structure and shifts to the red. Model calculations are performed on the chromophore and ab-initio CIS calculations show that the first excited state HOMO to LUMO transition is delocalised in methoxy-substituted compounds and localised on methoxy- and cyano-substituted compounds. (C) 2000 Elsevier Science S.A. All rights reserved.

引用

页码：539 / 543

页数：5

共 14 条

[1]

Cornil J, 1995, CHEM PHYS LETT, V247, P425, DOI 10.1016/S0009-2614(95)01224-9

[2] TOWARD A SYSTEMATIC MOLECULAR-ORBITAL THEORY FOR EXCITED-STATES [J].