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The role of alkyl substitution on the spin distribution in the radical cation of alkyl-cyclohexane: An electron-spin-resonance study

✍ Scribed by Kazumi Toriyama; Kaoru Matsuura; Keichi Nunome

Publisher
Elsevier Science
Year
1990
Tongue
English
Weight
475 KB
Volume
169
Category
Article
ISSN
0009-2614

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✦ Synopsis

The role of alkyl substitution on the electronic structure of cyclohexane radical cation was investigated with low-temperature matrix ESR and semiempirical MO calculations. It was found that the unpaired electron, which is originally delocalized throughout the cyclohexane ring, tends to be confined to one of the C-C o-bonds in the ring at the position ofthe alkyl substitution. When the alkyl chain is longer (.Vcg 4)) the unpaired electron tends to flow out from the ring to the side chain. Based on these findings, the difference between the alkyl-substitution effects on the electronic structures ofan aliphatic and an aromatic Jahn-Teller active cyclic cation is discussed.

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