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ESR evidence of a distorted 2Ag electronic structure for the methylcyclohexane radical cation

✍ Scribed by Mikael Lindgren; Masaru Shiotani; Nobuaki Ohta; Takahisa Ichikawa; Lars Sjoqvist

Publisher: Elsevier Science
Year: 1989
Tongue: English
Weight: 341 KB
Volume: 161
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(89)85043-2

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✦ Synopsis

The electronic structure of the methylcyclohexane (Me-cc,) radical cation has been investigated by ESR in a perfluoromethylcyclohexane matrix at 4 K. The ESR spectrum of Me-&s+ consists of a triplet of doublets with signals at z 74 G (2H) and sz 34 G ( 1H). With the aid of two selectively deuteriated methylcyclohexanes, Me-d&( and Me-cC6-3,3,5,5-d.,, the triplet and doublet are assigned to two equatorial hydrogens at the 2 and 5 positions, and to one of the methyl hydrogens in the tram position with respect to a certain elongated bond (C&C,), respectively. The electronic structure appears to be a distorted A, state which originates from the '$ state of the cyclohexane ring.

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