%0 Journal Article %1 Bulak.2006 %A Bulak, Ece %A Sarper, Orkan %A Dogan, Akbey %A Lissner, Falk %A Schleid, Thomas %A Kaim, Wolfgang. %D 2006 %J Polyhedron %K complex complex;gold complexation crystal geometry gold imidazolyl imidazolylhydroxymethane imidazolylmethoxymethane ketone optimized prepn structure structure;imidazolyl %N 13 %P 2577--2582 %R 10.1016/j.poly.2006.03.008 %T Dichlorogold(III) complexes of bis(1-methyl-2-imidazolyl)ketone and related ligands: Geometrical and electronic structures %V 25 %X The ligand bis(1-methyl-2-imidazolyl) ketone (bik) was studied by DFT with respect to the energy min. conformation in the neutral and the anion radical state. The hitherto unknown crystal structure of bik is reported. X-ray diffraction studies of cationic dichlorogold(III) complexes with bik and the related bis(1-methyl-2-imidazolyl)methoxymethane and bis(1-methyl-2-imidazolyl)hydroxymethane ligands showed the DFT-supported N,N'-coordination to form six-membered chelate rings. The LUMO of (bik)AuCl2+ was calcd. as Au-Cl centered in agreement with electrochem. and EPR results. on SciFinder(R)

@article{Bulak.2006, abstract = {The ligand bis(1-methyl-2-imidazolyl) ketone (bik) was studied by DFT with respect to the energy min. conformation in the neutral and the anion radical state. The hitherto unknown crystal structure of bik is reported. X-ray diffraction studies of cationic dichlorogold(III) complexes with bik and the related bis(1-methyl-2-imidazolyl)methoxymethane and bis(1-methyl-2-imidazolyl)hydroxymethane ligands showed the DFT-supported N,N'-coordination to form six-membered chelate rings. The LUMO of [(bik)AuCl2]+ was calcd. as Au-Cl centered in agreement with electrochem. and EPR results. [on SciFinder(R)]}, added-at = {2022-06-15T11:26:56.000+0200}, author = {Bulak, Ece and Sarper, Orkan and Dogan, Akbey and Lissner, Falk and Schleid, Thomas and Kaim, Wolfgang.}, biburl = {https://puma.ub.uni-stuttgart.de/bibtex/2b4c93cb022a3db564f28703648227d20/huebleriac}, doi = {10.1016/j.poly.2006.03.008}, interhash = {5365de764e13c4a07d3b1c9843257c21}, intrahash = {b4c93cb022a3db564f28703648227d20}, issn = {0277-5387}, journal = {Polyhedron}, keywords = {complex complex;gold complexation crystal geometry gold imidazolyl imidazolylhydroxymethane imidazolylmethoxymethane ketone optimized prepn structure structure;imidazolyl}, number = 13, pages = {2577--2582}, timestamp = {2022-06-15T09:26:56.000+0200}, title = {Dichlorogold(III) complexes of bis(1-methyl-2-imidazolyl)ketone and related ligands: Geometrical and electronic structures}, volume = 25, year = 2006 }