Influence of donor and acceptor substituents on the electronic characteristics of poly(paraphenylene vinylene) and poly(paraphenylene)

J. L. Brédas; A. J. Heeger

doi:10.1016/0009-2614(93)E1421-C

Influence of donor and acceptor substituents on the electronic characteristics of poly(paraphenylene vinylene) and poly(paraphenylene)

J. L. Brédas^*, A. J. Heeger

^*Corresponding author for this work

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

221 Scopus citations

Abstract

We investigate theoretically the influence of substitution by various donor and acceptor groups onto the phenyl rings and/or the vinylene units of poly(paraphenylene vinylene) and poly(paraphenylene). Using quantum chemical methods, we calculate the magnitudes of the forbidden energy gaps, the ionization potentials, and the electron affinities for several derivatives of each of the two parent conjugated polymers. These electronic parameters are essential in determining the potential of such polymers for use as active layers in light-emitting diodes.

Original language	English (US)
Pages (from-to)	507-512
Number of pages	6
Journal	Chemical Physics Letters
Volume	217
Issue number	5-6
DOIs	https://doi.org/10.1016/0009-2614(93)E1421-C
State	Published - Jan 28 1994
Externally published	Yes

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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abstract = "We investigate theoretically the influence of substitution by various donor and acceptor groups onto the phenyl rings and/or the vinylene units of poly(paraphenylene vinylene) and poly(paraphenylene). Using quantum chemical methods, we calculate the magnitudes of the forbidden energy gaps, the ionization potentials, and the electron affinities for several derivatives of each of the two parent conjugated polymers. These electronic parameters are essential in determining the potential of such polymers for use as active layers in light-emitting diodes.",

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AB - We investigate theoretically the influence of substitution by various donor and acceptor groups onto the phenyl rings and/or the vinylene units of poly(paraphenylene vinylene) and poly(paraphenylene). Using quantum chemical methods, we calculate the magnitudes of the forbidden energy gaps, the ionization potentials, and the electron affinities for several derivatives of each of the two parent conjugated polymers. These electronic parameters are essential in determining the potential of such polymers for use as active layers in light-emitting diodes.

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Influence of donor and acceptor substituents on the electronic characteristics of poly(paraphenylene vinylene) and poly(paraphenylene)

Abstract

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