@article{AwadConradKochetal.2010,
  author    = {Awad, Duha Jawad and Conrad, Franziska and Koch, Andreas and Schilde, Uwe and Poeppl, Andreas and Strauch, Peter},
  title     = {1,10-phenanthroline-dithiolate mixed ligand transition metal complexes : synthesis, characterization and EPR spectroscopy},
  issn      = {0020-1693},
  doi       = {10.1016/j.ica.2010.01.021},
  year      = {2010},
  abstract  = {A series of new N2S2 mixed ligand transition metal complexes, where N-2 is phenanthroline and S-2 is 1,2- dithiooxalate (dto) or 1,2-dithiosquarate (dtsq), has been synthesized and characterized. IR spectra reveal that the 1,2- dithiolate ligands are coordinated via the sulfur atoms forming a N2S2 coordination sphere. The copper(II) complex [Cu(phen)(dto)] was studied by EPR spectroscopy as a diamagnetically diluted powder. The diamagnetic dilution resulted from doping of the copper complex into the isostructural host lattice of the nickel complex [Ni(phen)(dto)]. The electronic situation in the frontier orbitals of the copper complex calculated from the experimental data is compared to the results of EHT and DFT calculations. Furthermore, one side product, chlorobis(1,10-phenanthroline)copper(I) ethanol solvate hydrate [(phen)(2)CuCl]center dot C2H5OH center dot H2O, was formed by a reduction process and characterized by X-ray diffraction. In the crystal packing one-dimensional columns of dimers are formed, stabilized by significant pi-pi interactions.},
  language  = {en}
}
@article{AwadConradKochetal.2010,
  author    = {Awad, Duha Jawad and Conrad, Franziska and Koch, Andreas and Friedrich, Alwin and Poeppl, Andreas and Strauch, Peter},
  title     = {2,2'-Bipyridin-1,2-dithiolat Gemischtligand-Komplexe : Systhese, Charakterisierung und EPR-Spektroskopie},
  issn      = {0932-0776},
  year      = {2010},
  abstract  = {A series of new 2 2'-bipyridine/1 2-dithiolate transition metal complexes has been synthesised and characterised As 1,2-dithiolate ligands 1,2 dithiooxalate (dto) and 1 2-dithiosquarate (dtsq) were used It follows from the IR spectra that the multidentate dithiolate ligands coordinate exclusively via their sulfur atoms forming an MN2S2 coordination sphere The central metal ions (M) are Cu2+ Ni2+ Pd2+ Pt2+, and Zn2+ The complex [Cu-II(bpy)(dto)] could be studied by EPR spectroscopy and was measured as powder diamagnetically diluted in the isostructural [Ni-II(bpy)(dto)] host structure The spin density contribution calculated from the experimental parameters is compared with the electronic situation in the frontier orbitals namely in the semi occupied SOMO of the copper complex derived from quantum chemical calculations on different levels (EHT and DFT)},
  language  = {de}
}