The molecular structure of a [6]radialene: a gas electron diffraction and ab initio study of hexakis(ethylidene)-cyclohexane

The molecular structure of hexakis(ethylidene)-cyclohexane has been studied experimentally by the gas electron diffraction method and theoretically by ab initio calculations. The molecule assumes a chair conformation, which is slightly less puckered than that in cyclohexane.

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Bibliographic Details
Published in:Journal of molecular structure 1998-04, Vol.445 (1), p.99-105
Main Authors: Trætteberg, Marit, Bakken, Pirkko, Hopf, Henning, Höpfner, Thomas
Format: Article
Language:English
Subjects:
Ab initio
Conformation
Crossconjugation
Cyclohexane
Electron diffraction
radialene
Structure
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Description
Summary:The molecular structure of hexakis(ethylidene)-cyclohexane has been studied experimentally by the gas electron diffraction method and theoretically by ab initio calculations. The molecule assumes a chair conformation, which is slightly less puckered than that in cyclohexane.
ISSN:0022-2860
1872-8014
DOI:10.1016/S0022-2860(97)00416-X