The C-H activation of pendant naphthyl group of 1-alkyl-2-(naphthyl-alpha-azo) imidazole by rhodium(III). Spectral, structural characterization and, DFT computation

作者：Sardar Dibakar; Datta Papia; Saha Rajat; Raghavaiah Pallepogu; Sinha Chittaranjan^*

来源：Journal of Organometallic Chemistry, 2013, 732: 109-115.

DOI：10.1016/j.jorganchem.2013.02.013

• Rhodium(III) complexes
• Naphthylazoimidazole
• Cyclometallation
• Structure
• DFT computation

The reaction of RhCl3 with 1-alkyl-2-(naphthyl-alpha-azo)imidazole (alpha-NaiR, N, N%26apos;chelator) (R = CH3, CH2 -CH3, CH2-Ph) has synthesized a coordination compound, [Rh(alpha-NaiR-N, N%26apos;)(PPh3)Cl-3] (2) from boiling methanol in the presence of PPh3 while the reaction under similar condition in the presence of Et3N has synthesized cyclometallated complex, [Rh(alpha-NaiR-N, N%26apos;, C)(PPh3)Cl-2] (3). The structures of both types of complexes are confirmed by single crystal X-ray diffraction study in representative cases. All the complexes have been characterized by spectral data (FT-IR, UV-VIS, MS, H-1-NMR) and elemental analyses. Density functional theory calculation has also been performed to rationalize the electronic structures and their spectral properties.

• 出版日期2013-5-15