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

[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.

Graphical abstract1-Alkyl-2-{(o-thioalkyl)phenylazo} imidazole) complexes, [M(SRaaiNR′)Cl3] (M = Rh(III), Ir(III)) are described. [Rh(SMeaaiNEt)Cl3] (3b) has been characterized by single crystal X-ray spectroscopy. The ligand acts as tridentate, with N(imidazole), N(azo) and S(thioether) donor centres. Spectral characterizations have been carried out with IR, UV–Vis and 1H NMR data. The electronic structure, redox properties and observed electronic transitions are well supported by DFT and TDDFT computations on the complexes.Figure optionsDownload full-size imageDownload as PowerPoint slide