Quadrupole Effects in Electron Paramagnetic Resonance Spectra of Polycrystalline Copper and Cobalt Complexes

Abstract
A second‐order theory, including quadrupole effects and transitions with Δm I > 0 , for the calculation of EPR spectra of polycrystalline samples of S = 1 2 transition‐metal ion complexes possessing axial symmetry has been developed. With this theory, the EPR spectrum of Cuacac2 in Pdacac2 and that of Na4CoPTS in DMSO could be explained in detail. The effects of electric quadrupole interaction together with a large anisotropy in the nuclear hyperfine coupling are shown. The advantages of obtaining spectra at two frequencies for the determination of reliable spin‐Hamiltonian parameters are demonstrated.

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