✦ LIBER ✦

High-spin ion radicals of polyenes and polyamines. A MO theoretical study

✍ Scribed by K. Yamaguchi; M. Okumura; J. Maki; T. Noro

Publisher: Elsevier Science
Year: 1993
Tongue: English
Weight: 583 KB
Volume: 207
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(93)85002-6

No coin nor oath required. For personal study only.

✦ Synopsis

Ab initio and semiempirical molecular orbital calculations have been carried out for model compounds of the high-spin ion radicalsofpoly(m-phenyleneoctatetraene)

derivatives. The calculated results areconsistent with previous experiments. The computations have also been performed for high-spin ion radicals of aromatic amine derivatives and other ion radicals formed by doping. It is shown that the spin polarization rule proposed previously for ion radicals is consistent with the existing experimental results.

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