| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1338967 | Polyhedron | 2010 | 11 Pages |
Abstract
Three novel rhenium oxocomplexes of biologically relevant ligand 2-hydroxymethylbenzimidazole: cis-[ReOCl2(hmbzim)(PPh3)] (1), cis-[ReOBr2(hmbzim)(PPh3)] and [ReO(hmbzim)2(PPh3)](ReO4)·CH3OH (3) have been synthesized and characterized spectroscopically and structurally (by single-crystal X-ray diffraction). The electronic spectra of 1 and 3 were investigated at the TDDFT level employing B3LYP functional in combination with LANL2DZ. Additional information about binding in the complexes 1 and 3 was obtained by NBO analysis.
Related Topics
Physical Sciences and Engineering
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Authors
B. Machura, M. Wolff, J. Kusz,