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

Abstract: [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. [ABSTRACT FROM AUTHOR]