Synthesis, Characterization, Molecular Modeling study, Crystal structures and Antibactrial activities of [Rh(py)2(CH3CN)Cl3] complex

Abstract

The Rh(III) complex[Rh(py)2(CH3CN)Cl3], Where py is pyridine has been prepared and characterized by elemental analysis, IR, and electronic absorption spectroscopies, and X-ray crystallography. The crystal structure of [Rh(py)2(CH3CN)Cl3] shows that the coordination geometry around the Rh(III) is a distorted octahedron. The title complex crystallized in monoclinic, space group P21/c, Z = 4, a = 7.626 (15) Å, b= 27.525(6) Å, c= 7.712 (15) Å and β=14.07(3)°. Electronic spectrum of the complex show that ligand – centered ( LCT ) transitions and metal- to- ligand charge transfer ( MLCT ). The molecular modeling of the complex was studied using a theoretical method and there was a good agreement between the results of the theory and the results of X-ray diffraction. Antibacterial activity of the complex has also been studied against Gram-positive bacteria (Staphylococcus aureus and Bacillus cereus ) and Gram-negative bacteria ( Pseudomunas aeroginosa and Escherichia coli).

Keywords

• rh(iii) complex
• crystal structure
• eectronic spectroscopy: molecular modeling: antibacterial activity