Article ID Journal Published Year Pages File Type
1335095 Polyhedron 2009 8 Pages PDF
Abstract

Novel [ReOBr(hmquin-7-COOH)2] (1) and [ReOCl(hmquin-7-COOH)2] · MeCN (2 · MeCN) complexes have been prepared by treatment of [ReOX3(AsPh3)2] with an excess of 8-hydroxy-2-methylquinoline-7-carboxylic acid in acetonitrile. The compounds were characterized structurally and spectroscopically. The electronic structure of 1 has been calculated with the density functional theory (DFT) method, and additional information about binding has been obtained by NBO analysis. The UV–Vis spectrum of 1 has been discussed on the basis of TDDFT calculations.

Graphical abstractNovel [ReOBr(hmquin-7-COOH)2] (1) and [ReOCl(hmquin-7-COOH)2]·MeCN (2·MeCN) complexes have been prepared by treatment of [ReOX3(AsPh3)2] with an excess of 8-hydroxy-2-methylquinoline-7-carboxylic acid in acetonitrile. The compounds were characterised structurally and spectroscopically. The electronic structure of 1 has been calculated with the density functional theory (DFT) method, and additional information about binding has been obtained by NBO analysis. The UV-Vis spectrum of 1 has been discussed on the basis of TDDFT calculations.Figure optionsDownload full-size imageDownload as PowerPoint slide

Related Topics
Physical Sciences and Engineering Chemistry Inorganic Chemistry
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