123988-80-7Relevant academic research and scientific papers
Cis-trans Isomerism at Square-Planar MN2S2 Centers (M = Pd, Pt): Crystal Structures of N-Phenyl-N-(2-thiazoyl)thiourea Complexes trans-Pd(S2N3C10H8)2 and cis-Pt(S2N3C10H8)2 and Density Functional Calculations
Al-Jibori, Subhi A.,Dayaaf, Noor A.,Mohammed, Modher Y.,Merzweiler, Kurt,Wagner, Christoph,Hogarth, Graeme,Richmond, Michael G.
, p. 365 - 372 (2013)
Simple palladium(II) and platinum(II) complexes, ML2 (1-2), of N-phenyl-(2-thiazoyl)thiourea have been prepared and fully characterized. The structure of Pd(S2N3C10H8) 2 (1) is monoclinic P21 /c, a = 12.510(2), b = 5.6963(6), c = 15.322(2) A, b = 90.07(2)o and Pt(S2N 3C10H8)2 (2) is orthorhombic P2 1 2 1 2 1, a = 7.3021(5), b = 11.8025(9), c = 25.628(2) A. In both complexes the ligands bind in a chelate fashion through the nitrogen atom of the thiazole ring and the sulfur atom of the thiourea to give six-membered chelate rings. In 1 the metal ion sits on an inversion center and the two ligands adopt a relative trans-disposition of like atoms, while in 2 all atoms are unique and the ligands are in a relative cis-disposition. DFT calculations on the cis and trans isomers based on 1 and 2 reveal that each pair of isomers is isoenergetic in the gas phase. Graphical Abstract: Simple palladium(II) and platinum(II) complexes, M(S2N 3C10H8)2, of N-Phenyl-(2-thiazoyl) thiourea have been prepared and fully characterized. In both complexes the ligands bind in a chelate fashion through the nitrogen atom of the thiazole ring and the sulfur atom of the thiourea to give six-membered chelate rings. In the palladium complex the metal ion sits on an inversion center and the two ligands adopt a relative trans-disposition of like atoms, while for platinum all atoms are unique and the ligands are in a relative cis-disposition. DFT calculations on the cis and trans isomers based on 1 and 2 reveal that each pair of isomers is isoenergetic in the gas phase. [Figure not available: see fulltext.]
