Electron paramagnetic resonance study on Cu[(C6H11O)2PS2]2 complex single crystal

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 A^P related ligands was obtained.