Chelating agents contg. imidazole groups are interesting to study since one or more histidine residues are frequently obsd. at the active sites of metalloproteins. Coordination of the diimidazole ligand bis(1-methylimidazol-2-yl)glyoxal which is called 'big' with Re+, Zn+2, Cu+2, Pt+2 and Au+3 have been modeled making use of the DFT method (program package GAUSSIAN) in the complex ions M(big)2+n. The structures for Re(big)2+, Zn(big)2+2, Cu(big)2+2, Pt(big)2+2 and Au(big)2+3 are reported in relation to some exptl. results found in the literature. Ligand-metal interactions and esp. back bonding are discussed. on SciFinder(R)
%0 Journal Article
%1 Sarper.2006
%A Sarper, O.
%A Bulak, E.
%A Kaim, W.
%A Varnali, T.
%D 2006
%J Molecular Physics
%K back bonding complex glyoxal metal methylimidazol mol structure
%N 5-7
%P 833--838
%R 10.1080/00268970500417432
%T Modelling bis-(1-methylimidazol-2-yl)glyoxal, 'big', in complex ions M(big)2+n, M = Au, Pt, Cu, Re, Zn: A DFT study
%V 104
%X Chelating agents contg. imidazole groups are interesting to study since one or more histidine residues are frequently obsd. at the active sites of metalloproteins. Coordination of the diimidazole ligand bis(1-methylimidazol-2-yl)glyoxal which is called 'big' with Re+, Zn+2, Cu+2, Pt+2 and Au+3 have been modeled making use of the DFT method (program package GAUSSIAN) in the complex ions M(big)2+n. The structures for Re(big)2+, Zn(big)2+2, Cu(big)2+2, Pt(big)2+2 and Au(big)2+3 are reported in relation to some exptl. results found in the literature. Ligand-metal interactions and esp. back bonding are discussed. on SciFinder(R)
@article{Sarper.2006,
abstract = {Chelating agents contg. imidazole groups are interesting to study since one or more histidine residues are frequently obsd. at the active sites of metalloproteins. Coordination of the diimidazole ligand bis(1-methylimidazol-2-yl)glyoxal which is called 'big' with Re+, Zn+2, Cu+2, Pt+2 and Au+3 have been modeled making use of the DFT method (program package GAUSSIAN) in the complex ions [M(big)2]+n. The structures for [Re(big)2]+, [Zn(big)2]+2, [Cu(big)2]+2, [Pt(big)2]+2 and [Au(big)2]+3 are reported in relation to some exptl. results found in the literature. Ligand-metal interactions and esp. back bonding are discussed. [on SciFinder(R)]},
added-at = {2019-07-15T13:41:23.000+0200},
author = {Sarper, O. and Bulak, E. and Kaim, W. and Varnali, T.},
biburl = {https://puma.ub.uni-stuttgart.de/bibtex/23d9829e25edad137fc1fcf0782b243be/b_schwederski},
doi = {10.1080/00268970500417432},
interhash = {0352d835e5457e9a457e59262260211d},
intrahash = {3d9829e25edad137fc1fcf0782b243be},
issn = {0026-8976},
journal = {Molecular Physics},
keywords = {back bonding complex glyoxal metal methylimidazol mol structure},
number = {5-7},
pages = {833--838},
timestamp = {2019-07-15T11:42:10.000+0200},
title = {Modelling bis-(1-methylimidazol-2-yl)glyoxal, 'big', in complex ions [M(big)2]+n, M = Au, Pt, Cu, Re, Zn: A DFT study},
volume = 104,
year = 2006
}
