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Abstract
EPR investigations on [Cu( i-MNS) 2][NBu 4 n ] 2( i-MNS = 1,1-dicyanoethylene-2,2-diselenolate) in solution and polycrystalline samples, diamagnetically diluted by the corresponding Ni-complex, are reported. The directions of the principal axes of the Cu and 77Se hfs tensors and the magnitudes of the electron spin-nuclear spin interactions along these axes were found to agree satisfactorily with what is expected for a planar complex of approximately D 2 h symmetry with one unpaired electron in an antibonding σ-MO. Contrary to the “normal” hyperfine interaction, the principal axes of the g-tensor do not coincide with those of the Cu hfs stensor, indicating significant deviation in the electronic structure of the first coordination sphere by comparison with the CuS 4 chelates. Using the 77Se hfs data the degree of covalency of the ground-state σ-bonding of the complex was calculated.
Published Version
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