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)
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