Chemistry of allene cation radicals probed by the use of theoretical and electron-transfer photochemical methods

K Haddaway, K Somekawa, P Fleming…

Index: Haddaway, Keith; Somekawa, Kenichi; Fleming, Paul; Tossell, John A.; Mariano, Patrick S. Journal of Organic Chemistry, 1987 , vol. 52, # 19 p. 4239 - 4253

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Citation Number: 27

Abstract

Theoretical and photochemical methods have been used to probe the structures, electronic distributions, and solution-phase chemical properties of allene cation radicals. Results of SCF-level (UHF) calculations show that the linear-45O-twisted structure of the parent allene cation radical represents the minimum energy geometry and that this species has high positive charge density at the central carbon and large odd electron density at the terminal ...