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Normal coordinate analyses of 2,4-hexadienes

✍ Scribed by Xiabin Jing; Jianling Wang; Zhiliu Feng


Publisher
Elsevier Science
Year
1988
Tongue
English
Weight
303 KB
Volume
44
Category
Article
ISSN
1386-1425

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✦ Synopsis


Measurement and assignment

of the i.r. and Raman spectra of trans,transand c&tram-2,4hexadienes were carried out. The normal coordinate analyses of these two isomers were done to obtain a force field transferable to 1,4-diphenyl-traqtrans-1,3-butadiene and transand cis-polyacetylenes.


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Normal coordinate analyses for 2-, 3-and 4-acetylpyridine and acetophenone were carried out employing a systematic procedure based on a modified valence force field that is comparable to those used previously for different aromatic molecules. The general valence force fields (GVFF) were determined u