Rhodium(III) and iridium(III) complexes of thioarylazoimidazoles: Synthesis, structure, spectral characterization, electrochemistry and DFT calculation

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• 作者：Dibakar Sardar ; Papia Datta ; Partha Mitra ; Chittaranjan Sinha
• 关键词：Rh(III) and Ir(III) complexes ; X-ray structure ; Electrochemistry ; DFT and TDDFT computation
• 刊名：Polyhedron
• 出版年：2010
• 出版时间：18 November 2010
• 年：2010
• 卷：29
• 期：17
• 页码：3170-3177
• 全文大小：557 K

文摘

[M(SRaaiNR′)Cl₃] (M = Rh(III), Ir(III) and SRaaiNR′ = 1-alkyl-2-{(o-thioalkyl)phenylazo}imidazole) complexes are described in this article. The single crystal X-ray structure of one of the complexes, [Rh(SMeaaiNEt)Cl₃] (3b), shows a tridentate chelation of SMeaaiNEt via N(imidazole), N(azo) and S(thioether) donor centres. Spectral characterization has been done by IR, UV–Vis and ¹H NMR data. The electronic structure, redox properties and spectra are well supported by DFT and TDDFT computation on the complexes.