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 ... View Full Text


Ontology type: schema:ScholarlyArticle     


Article Info

DATE

2013-07

AUTHORS

Subhi A. Al-Jibori, Noor A. Dayaaf, Modher Y. Mohammed, Kurt Merzweiler, Christoph Wagner, Graeme Hogarth, Michael G. Richmond

ABSTRACT

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) Å, b = 90.07(2)o and Pt(S2N3C10H8)2 (2) is orthorhombic P212121, a = 7.3021(5), b = 11.8025(9), c = 25.628(2) Å. 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. Simple palladium(II) and platinum(II) complexes, M(S2N3C10H8)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. More... »

PAGES

365-372

References to SciGraph publications

Identifiers

URI

http://scigraph.springernature.com/pub.10.1007/s10870-013-0429-7

DOI

http://dx.doi.org/10.1007/s10870-013-0429-7

DIMENSIONS

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49 schema:description 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) Å, b = 90.07(2)o and Pt(S2N3C10H8)2 (2) is orthorhombic P212121, a = 7.3021(5), b = 11.8025(9), c = 25.628(2) Å. 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. Simple palladium(II) and platinum(II) complexes, M(S2N3C10H8)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.
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