Computer analysis of the ESR spectra of Cu(II) compounds in polycrystalline form and in glasses

Abstract

A systematic analysis of the theoretical ESR spectra of Cu(ID in polycrystalline specimens and glasses, calculated by means of a special program on a B~SM-6 electronic computer, has been carried out. It has been established that the theoretical spectra effectively describe most of the Cu(ID spectra encountered in practice. Characteristic points have been found, from which it is possible to determine the principal values of the g-factors and constants of the hyperfine structure (HFS) of Cu(ID compounds without resorting each t ime to the synthesis of the spectra on an electronic computer. The proposed techniques for the analysis of experimental ESR spectra from the characteristic points should also be applicable to other paramagnetic materials with electron spin S = I/z and any nuclear spin.