Author:
Davies Alwyn G.,Shields Charles J.,Evans Jeffrey C.,Rowlands Christopher C.
Abstract
The electron spin resonance spectra of the radical cations of dioxene (1a), 2,3-dimethyldioxene (1b), 2,3-diphenyldioxene (1c), and benzodioxane (2) in fluid solution have been observed and analysed, with the help of ENDOR spectroscopy in the case of 1c. It is concluded that in 1c the molecule has overall C2 molecular symmetry. In all four compounds, the pseudo-axial and pseudo-equatorial protons of the methylene groups in the half-chair dioxene rings are distinguished by different hyperfine coupling constants, and simulation of the spectra over a range of temperatures has given the Arrhenius parameters for the ring inversion of 1a, 1b, and 2. Keywords: ESR spectra, radical cation, 1,4-dioxene, inversion barrier.
Publisher
Canadian Science Publishing
Subject
Organic Chemistry,General Chemistry,Catalysis
Cited by
6 articles.
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