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Theoretical calculation of the geometries of the radical ions of ethylene and the fluoroethylenes

✍ Scribed by Stewart Merry; Colin Thomson

Book ID: 103018332
Publisher: Elsevier Science
Year: 1981
Tongue: English
Weight: 324 KB
Volume: 82
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(81)85176-7

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✦ Synopsis

Ab initio UHF calculations of the optimized geometries of the amon and cation of ethylene and perfluoroethylene are reported_ The cations are both predicted to be planar, but both anions are significantly distorted, particularly the CzFi ion, which has Czh symmetry. Further calculations show that all the fluormated ethylene anion radicals should be non-planar

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