Bulletin of the Chemical Society of Japan
Online ISSN : 1348-0634
Print ISSN : 0009-2673
ISSN-L : 0009-2673
Potential Energies of Rotation of Double Bond in Ethylene Molecule and Ion
Hiroshi IchikawaYukiko EbisawaAtsushi Shigihara
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1985 Volume 58 Issue 12 Pages 3619-3620

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Abstract

MP3/6-31G** calculations show that the potential barrier of a double-bond rotation in an ethylene ion is 137 kJ mol−1 (about half that of the molecular state) and that the orthogonally twisted ion has a C2v symmetry. The geometries are discussed in relation to the total energies.

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