Abstract
X-band EPR studies on Cu[(C6H11O)2PS2]2 complex single crystal at room temperature were reported. The EPR spectrum shows that the hyperfine structure is produced by 63Cu nuclei, and the ligand hyperfine structure by 31P nuclei. The spin-Hamiltonian parameters were rigorously calculated using a least-squares-fitting technique, specially adapted to noncoincident g and A tensors systems. The principal values of g tensor imply that Cu2+ occupies the site consisting of four ligands S, and is tetragonal symmetric, but the principal values of A tensor in Cu—S4 plane reveal a large anisotropy caused by the presence of two ligands P. One of principal axes for g and A tensors is coincident, and they are perpendicular to the Cu—S4 plane. It was found that the interaction between electron spin and ligands 31P nuclear spin is isotropic and the hyperfine-coupling constant AP related ligands was obtained.
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