The structure of nitro-anion-radicals. An investigation employing electron spin resonance spectroscopy and INDO (intermediate neglect of differential overlap) molecular orbital calculations
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.