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

MM de Souza; G Rumbles; IR Gould; H Amer; Ifor David William Samuel; SC Moratti; AB Holmes

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

MM de Souza, G Rumbles, IR Gould, H Amer, Ifor David William Samuel, SC Moratti, AB Holmes

Research output: Contribution to journal › Article › peer-review

Abstract

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.

Original language	English
Pages (from-to)	539
Number of pages	539
Journal	Synthetic Metals
Volume	111
Publication status	Published - 1 Jun 2000

Keywords

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

Cite this

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title = "A theoretical and experimental study of cyano- and alkoxy- substituted phenylenevinylene model compounds",

abstract = "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.",

keywords = "poly(phenylenevinylene) and derivatives, photoluminescence, UV-VIS absorption, ab-initio quantum chemical methods and calculations, OLIGOMERS",

author = "{de Souza}, MM and G Rumbles and IR Gould and H Amer and Samuel, {Ifor David William} and SC Moratti and AB Holmes",

year = "2000",

month = jun,

day = "1",

language = "English",

volume = "111",

pages = "539",

journal = "Synthetic Metals",

issn = "0379-6779",

publisher = "ELSEVIER SCIENCE SA",

}

TY - JOUR

T1 - A theoretical and experimental study of cyano- and alkoxy- substituted phenylenevinylene model compounds

AU - de Souza, MM

AU - Rumbles, G

AU - Gould, IR

AU - Amer, H

AU - Samuel, Ifor David William

AU - Moratti, SC

AU - Holmes, AB

PY - 2000/6/1

Y1 - 2000/6/1

N2 - 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.

AB - 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.

KW - poly(phenylenevinylene) and derivatives

KW - photoluminescence

KW - UV-VIS absorption

KW - ab-initio quantum chemical methods and calculations

KW - OLIGOMERS

M3 - Article

SN - 0379-6779

VL - 111

SP - 539

JO - Synthetic Metals

JF - Synthetic Metals

ER -

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

Abstract

Keywords

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