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Modifiziertes PPP-Verfahren zur Berechnung schwacher molekülkomplexe. Einfluss der struktur auf die UV-Spektren von TCNE-Komplexen phenylsubstituierter Äthylene

✍ Scribed by Joachim Sauer; Heinz Mustroph


Book ID
102979641
Publisher
Elsevier Science
Year
1976
Weight
982 KB
Volume
8
Category
Article
ISSN
0001-8716

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✦ Synopsis


The CT-spectra of complexes of phenyl-substituted ethylenes, with TCNE as acceptor in various arrangements, are calculated. Conclusions about the structure of such weak complexes in solution may be drawn from a comparison with experimental electronic spectra. Within the framework of this static structural model the two observed CT-bands are explained by absorption from preferred arrangements; the acceptor is arranged about the double bond (first CT-band) * TCNE -Tetracyanolthylen.