The structure of nitro-anion-radicals. An investigation employing electron spin resonance spectroscopy and INDO (intermediate neglect of differential overlap) molecular orbital calculations
- 1 January 1973
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Journal of the Chemical Society, Perkin Transactions 2
- No. 14,p. 2010-2015
- https://doi.org/10.1039/p29730002010
Abstract
INDO Molecular orbital calculations support e.s.r. evidence which suggests that aliphatic nitro-anion-radicals are pyramidal about the nitrogen atom. In contrast, aromatic nitro-anion-radicals appear to be planar about nitrogen except in cases where ortho-substitution causes twisting and bending of the nitro-group.Keywords
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