Synthesis, spectroscopic characterization and molecular modeling of a tetranuclear platinum(II) complex with thiazolidine-4-carboxylic acid

• Published in: Journal of molecular structure 2012-07, Vol.1019, p.21-26
• Main Authors: Corbi, Pedro P., Formiga, André L.B., Bonk, Fábio A., Quintão, Frederico A., Ferraresi, Diego K.D., Lustri, Wilton R., Massabni, Antonio C.
• Format: Article
• Language: English
• Subjects: Chlorine; Density functional theory; Infrared; Infrared spectroscopy; Ligands; Mathematical models; Molecular modeling; nitrogen; Nuclear magnetic resonance; nuclear magnetic resonance spectroscopy; platinum; Platinum(II) complex; Solid-state NMR; Spectroscopy; sulfur; Synthesis; Thiazolidine-4-carboxylic acid
• ISSN: 0022-2860; 1872-8014
• DOI: 10.1016/j.molstruc.2012.03.074

► A novel Pt(II) complex with thiazolidine-4-carboxylic acid (THC). ► IR and NMR studies permitted proposing nitrogen and sulfur coordination of THC to Pt(II). ► DFT studies suggest a tetranuclear structure for the complex. ► Experimental and theoretical IR data confirmed the proposed tetranuclear arrangement. The synthesis, spectroscopic characterization and molecular modeling of a novel tetranuclear platinum(II) complex with thiazolidine-4-carboxylic acid (THC) are described. Elemental analysis is consistent with the composition PtCl2C4H7NO2S·H2O. Infrared (IR) spectroscopic results and solid-state 13C and 15N nuclear magnetic resonance (NMR) data indicate coordination of the ligand to Pt(II) through the nitrogen and sulfur atoms. The square planar geometry of the platinum(II) complex is completed by chlorine atoms. Density functional theory (DFT) suggests the formation of a tetrameric cluster as the most probable structure, where each THC molecule bridges between two metal centers. The compound is insoluble in water.