✦ LIBER ✦

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

✍ Scribed by J.L. Brédas; A.J. Heeger

Publisher: Elsevier Science
Year: 1994
Tongue: English
Weight: 508 KB
Volume: 217
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(93)e1421-c

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✦ Synopsis

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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