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Abstract
Chelating agents containing imidazole groups are interesting to study since one or more histidine residues are frequently observed 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 modelled 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 experimental results found in the literature. Ligand–metal interactions and especially back bonding are discussed.
Acknowledgement
This work has been funded by the Bogazici University Research Funds Project No. 04HB502.