Computations of ESR coupling constants in organic radicals. III. Nitro Derivatives of the Benzyl Radical

We compute the ESR coupling constants and the geometries of ten nitro derivatives of the benzyl radical. We consider the three mononitrobenzyls, the six dinitrobenzyls and 2,4,6-trinitrobenzyl. The computations are based on the use of the Gaussian 82 Program Package with the STO-3G basis set. There are no experimental data available.