Abstract The Rh(III) complexes of 1-alkyl-2-{( o -thioalkyl)phenylazo}imidazole (SRaaiNR′, 1 ; R = R′= Me ( a ); R = Me, R′= Et ( b ); R = Et, R′= Me ( c ); R = R′= Et ( d )), [Rh(SRaaiNR′)(PPh 3 )Cl 2 ](ClO 4 ) ( 2 ) have been synthesized. The complexes have been characterized by physicochemical and spectroscopic methods. The single-crystal X-ray diffraction study authenticates the structure of [Rh(SMeaaiNEt)(PPh 3 )Cl 2 ](ClO 4 ) ( 2b ). The DNA binding ability of the complexes has been investigated by electronic absorption and fluorescence spectroscopic methods. Density functional theory computation technique has been used to enlighten the electronic structures and their spectral properties. Graphic abstract 1-Alkyl-2-{( o -thioalkyl)phenylazo}imidazole complexes of Rh(III), [Rh(SRaaiNR′)(PPh 3 )Cl 2 ](ClO 4 )]( 2 ) are synthesized and characterized. [Rh(SMeaaiNEt)(PPh 3 )Cl 2 ](ClO 4 ) ( 2b ) is characterized by single-crystal X-ray diffraction study. Ligand acts as tridentate N(imidazole), N(azo) and S(thioether) donor centers. The DNA binding ability of the complexes is investigated by electronic absorption and fluorescence spectroscopic methods. The electronic structure and observed electronic transitions are interpreted by DFT and TDDFT computation.

中文翻译：

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1-烷基-2-{(o-硫代烷基)苯基偶氮}咪唑的铑(III)配合物：合成、结构、光谱表征、DNA结合研究和DFT计算

摘要 1-烷基-2-{(o-硫代烷基)苯基偶氮}咪唑的Rh(III)配合物(SRaaiNR', 1 ; R = R'= Me ( a ); R = Me, R'= Et ( b ) ; R = Et, R'= Me ( c ); R = R' = Et ( d )), [Rh(SRaaiNR')(PPh 3 )Cl 2 ](ClO 4 ) ( 2 )已经合成。该配合物已通过物理化学和光谱方法表征。单晶 X 射线衍射研究证实了 [Rh(SMeaaiNEt)(PPh 3 )Cl 2 ](ClO 4 ) (2b) 的结构。通过电子吸收和荧光光谱方法研究了复合物的 DNA 结合能力。密度泛函理论计算技术已被用于启发电子结构及其光谱特性。Rh(III)的1-烷基-2-{(o-硫代烷基)苯基偶氮}咪唑配合物的图形摘要，合成并表征了[Rh(SRaaiNR')(PPh 3 )Cl 2 ](ClO 4 )](2)。[Rh(SMeaaiNEt)(PPh 3 )Cl 2 ](ClO 4 ) (2b) 通过单晶 X 射线衍射研究表征。配体充当三齿 N（咪唑）、N（偶氮）和 S（硫醚）供体中心。通过电子吸收和荧光光谱方法研究复合物的 DNA 结合能力。电子结构和观察到的电子跃迁由 DFT 和 TDDFT 计算解释。