Condensed Aromatics. Part XV. Chrysene
Open Access
- 1 March 1982
- journal article
- Published by Walter de Gruyter GmbH in Zeitschrift für Naturforschung A
- Vol. 37 (3) , 251-258
- https://doi.org/10.1515/zna-1982-0309
Abstract
The in-plane and out-of-plane molecular vibrations of chrysene are analysed. Complete sets of independent symmetry coordinates are constructed. The in-plane vibrational frequencies are calculated both by the simple five-parameter approximation and the method of Califano with collaborators. They show a satisfactory agreement with observed values. Calculated frequencies for the out-of-plane vibrations were obtained from a five-parameter approximation. Mean ampli-tudes of vibration are discussed, and selected values reported. Spectra of chrysene were recorded in Raman and infrared. An almost complete assignment of observed fundamentals was achieved with the aid of the calculated frequencies.Keywords
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