AN ESR STUDY OF COVALENT BINDING IN COPPER DIETHYLDISELENOCARBAMATE

Abstract

Single crystal ESR investigations of copper (II) diethyl-diselenocarbamate, diluted in the corresponding zinc complex, are reported in this paper. The g and C hyperfine tensors have non-coinciding principal axes. While the maximum Cuhyperfine splitting direction is normal to the plane of the ligands, the maximum g value direction is located in the plane of the ligands. The g-values for this complex are very close to the free spin value; the g shifts are the lowest reported for Cu (II)complexes. Hyperfine structure from the "Se isotope (7.5% abundant) has been observed and the Se hyperfine principal values are used to estimate the coefficients of the Se 4s and 4p orbitals in the ground molecular orbital of the unpaired electron.These indicate a high degree of delocaliza lion of the unpaired electron over the complex.A consistent explanation of the results is given in terms of the large delocalization of the unpaired electron and the high spin-orbit constant of the ligand.