A Simple Force-Field Approximation Applied to the In-Plane Vibrations of Some Condensed Aromatics
作者:
B.N. Cyvin,
J. Brunvoll,
S.J. Cyvin,
P. Klaeboe,
期刊:
Spectroscopy Letters
(Taylor Available online 1984)
卷期:
Volume 17,
issue 9
页码: 559-567
ISSN:0038-7010
年代: 1984
DOI:10.1080/00387018408062716
出版商: Taylor & Francis Group
关键词: Keating's bending;Anthracne;Phenanthrene;Pyrene;Chrysene;Coronene
数据来源: Taylor
摘要:
In-plane vibrational frequencies of five condensed aromatics were computed from a five-parameter force field pertaining to stretchings and Keating's bendings. The molecules are: anthracene, phenanthrene, pyrene, chrysene and coronene. The results were compared with previous ones from a five-parameter approximation, which employs Decius' bendings. As far as the agreement between calculated and observed frequencies are concerned the results with Keating's bendings appeared clearly to be the superior ones in all the cases investigated.
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