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Interionic vibrations and the molecular structure of ion pairs for 1-acetylpyridinium halides

The structure and interionic vibrations of the ion pairs of 1-acetylpyridinium halides have been analysed by the joint use of far-IR spectroscopy, a molecular orbital method and molecular mechanics calculations. It has been found that these ion pairs are non-rigid molecules with large amplitude low-...

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Bibliographic Details
Published in:Journal of molecular structure 1987-04, Vol.157 (4), p.321-328
Main Authors: Rybachenko, V.I., Gershikov, A.G., Panchenko, B.V., Chotiy, C.Ju, Titov, E.V.
Format: Article
Language:English
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Summary:The structure and interionic vibrations of the ion pairs of 1-acetylpyridinium halides have been analysed by the joint use of far-IR spectroscopy, a molecular orbital method and molecular mechanics calculations. It has been found that these ion pairs are non-rigid molecules with large amplitude low-frequency interionic vibrations. The most probable ion pair geometry corresponds to the anion location over the plane of the cation pyridinium ring. The nature of chemical bonding between the anion and cation has been established to be predominantly ionic.
ISSN:0022-2860
1872-8014
DOI:10.1016/0022-2860(87)87040-0