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Twist form of ethylene radical cations. ESR studies

โœ Scribed by Shiotani, M.; Nagata, Y.; Sohma, J.

Book ID
126821634
Publisher
American Chemical Society
Year
1984
Tongue
English
Weight
276 KB
Volume
106
Category
Article
ISSN
0002-7863

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The ethylene radical cation: Twisted or
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Ab initio molecular-orbital calculations are used to examine the structure of the ethylene radiul ation. The results point to a twisted equilibrium geometry, in agreement with experiment Very large basis sets and highly correlated wavefunctions are necessary to describe even qualitatively the torsio

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## Abstract Several deuteriated polycyclic aromatic radical cations were studied by ESR. Their hyperfine coupling constants are reported and mechanisms for their formation are proposed.