Author： Spanget-Larsen Jens
Publisher： Taylor & Francis Ltd
ISSN： 1362-3028
Source： Molecular Physics, Vol.32, Iss.3, 1976-09, pp. : 735-741
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Abstract
An electrostatic solvation model within the INDO approximation, representing the interaction with the solvent by means of an effective solvent field, is applied to the nitrobenzene radical anion. The available solvent sensitivity data for the 1 H, 13 C, 14 N and 17 O hyperfine coupling constants are satisfactorily reproduced. The results are consistent with the assumption of a planar structure of the radical, in contrast with the results of a recent theoretical study.
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