Computer Simulations of the ESR Spectra of the Triplet Dimers of Bis-(N-Salicylidenemethylaminato)copper(II) in Toluene

It has been concluded, from computer simulations of the observed ESR line shapes, that the dimeric structure of bis- (N-salicylidenemethylaminato)copper(II) in a frozen toluene solution is similar to that in its γ-form crystals. Furthermore, the difference between the hyperfine splittings observed at both edges of the triplet spectra for ΔM=1, the large frequency dependence of the fine-structure splitting, and the additional hyperfine structures observed in the field range between the so-called low-field parallel and perpendicular lines have been found to be due to the noncoincidence of the principal axes of the g tensor with those of the fine-structure tensor.