We report the synthesis of Co-doped CdS nanoclusters (Cd1−xCoxS) for different doping concentrations (x = 0.10, 0.20 and 0.30) and characterization of their structural, optical, and magnetic properties. The structural properties studied by X-ray diffraction revealed hexagonal-greenockite structure and a decrease of the lattice parameters (a and c) with doping, showing incorporation of Co in the lattice. The morphology of the nanoclusters was studied by scanning electron microscopy. The optical absorption studies, using diffused reflectance spectroscopy, revealed that Co doping modifies the absorption band edge. Ferromagnetic phase was observed in the magnetization measurements at room-temperature due to high carrier concentration. X-ray absorption near edge fine structure measurements at the sulfur (S) K-edge of the Co-doped samples revealed that the valence remains divalent and that there are some changes with Co doping in the spectral intensity.
Journal of Alloys and Compounds, Volume 493, 2010, Pages 240-245

The optical and ESR spectra have been examined for complexes of Cu(I) with various radicals, which contain various numbers of Cl ions in the central-atom coordination sphere. The spin-Hamiltonian parameters have been determined for all these radical complexes, and the observed ESR spectra have been compared with those calculated with allowance for second-order effects. The observed values for the isotropic and anisotropic components of the HFI constant from the central ion have been used to estimate the contributions from the 4s and 3d2 z orbitals of the copper ion to the unpaired-electron MO. Quantum-chemical calculations have been performed by the INDO method on the electronic structures and geometries of complexes formed by CH2OH with Cu(I) for various Cl contents in the coordination sphere. The radical is coordinated by the orbital on the carbon atom, and the stabilities of the radical complexes decrease as the number of Cl ions in the coordination sphere increases. A geometry close to planar is proposed for the CuCl4 –3 fragment in a complex containing four Cl ions.
Theor.Exp.Chem. 1986, V.22, No.1, pp. 27-33

Geometrical and electronic structures of neutral paramagnetic binuclear nitrosyl iron complexes with azaheterocyclic thyolyls [Fe2(μ-SR)2)(NO)4] with bridging ligands: aminomercaptotriazolyl, Rdouble bond; length as m-dashC2N3H(NH2) (1), mercaptoimidazolyl, Rdouble bond; length as m-dashC3N2H3 (2), methylmercaptoimidazolyl, Rdouble bond; length as m-dashC3N2H2CH3 (3), and dihydromercaptoimidazolyl, Rdouble bond; length as m-dashC3N2H5 (4) have been calculated by the methods of density functional, B3LYP and PBE. Coordination of bridging ligands corresponds to ‘S–C–N type’, more energetically preferable than μ-S type coordination. This results in big Fecdots, three dots, centeredFe distances, with the value of intramolecular exchange interaction being inconsiderable; therefore the complexes are paramagnetic at ambient temperature, with effective magnetic moment about 2.5 Bohr magneton. The interaction of the Fe atoms spins and intermolecular exchange are antiferromagnetic, and this should be taken into account while describing the temperature dependence of magnetic susceptibility. The electronic configuration of the Fe(NO)2 unit with one unpaired electron (similar to that in binuclear diamagnetic complexes) forms due to binding of spin 3/2 of Fe+d7 center with oppositely oriented spins 1/2 of two NO groups. Theoretical approaches describe satisfactorily not only the experimental structure of the complexes but also their IR spectra.
Inorganica Chimica Acta, V. 362, Is. 7, 2009, pp. 2499-2504