Abstract
ESR spectra have been obtained and interpreted for the nitrobenzene anion radical in single crystals of two benzoate salts. In trimethylphenylammonium benzoate, [(CH3)3C6H5N]+[C6H5CO2]−, there is a single magnetically unique site per unit cell, so reasonably simple spectra result. Principal values for the g tensor and the hyperfine tensors of N and the ortho and para protons are reported. Splitting by the meta protons was not resolved. The single crystal ESR data for the nitrobenzene anion radical doped into benzoate sites in this hosts, together with the unit cell dimensions and symmtery obtained from single crystal x‐ray measurements on the host enabled a partial crystal structure determination. The crystals are monoclinic with four formula units per unit cell and are of C2/c symmetry with the four benzoate anions lying in special positions on a twofold axis such that the molecular twofold axis of each benzoate anion points along the b axis. Each of the four trimethylphenylammonium cations is likewise c...
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