Cis/trans isomers of PtX2L2 (X = halogen, L = neutral ligand); the crystal structure of trans-dichlorobis(dimethyl sulfide) platinum(II) and the pressure dependence of its unit-cell dimensions

Summary, in English

trans-PtCl2(dms)(2) (dms is dimethyl sulfide) crystallizes in the space group P2(1)/n and adopts the molecular point group C-i, which is the most frequently occurring point group for trans-PtX2L2 complexes (78%), as observed in the Cambridge Structural Database (CSD; 2005 release), followed by C-1 (16%). Density functional theory calculations show that the observed geometry for trans- PtCl2(dms)(2) has slightly higher energy than the most favorable geometry in the point group C-2h, but this geometry would require a space group that hampers close packing, thus showing that intermolecular forces determine the point group for the title compound. High-pressure powder diffraction studies of trans-PtCl2(dms)(2) show no phase transformation up to 8.0 GPa. The bulk modulus is 8.1 ( 6) GPa and the pressure derivative 8.1 (4). In the CSD, the number of cis- and trans-PtX2L2 compounds are almost equal, viz. 156 cis and 160 trans compounds, showing no preference for either isomer in the solid state.

• Författare: Christian Hansson; Stefan Carlson; D Giveen; M Johansson; S Yong; Åke Oskarsson
• Avdelning/ar: Centrum för analys och syntes; MAX IV-laboratoriet
• Publiceringsår: 2006
• Språk: Engelska
• Sidor: 474-479
• Publikation/Tidskrift/Serie: Acta Crystallographica. Section B: Structural Science, Crystal Engineering and Materials
• Volym: 62
• Issue: 3
• Länkar: http://dx.doi.org/10.1107/S0108768106004629
• Dokumenttyp: Artikel i tidskrift
• Förlag: Wiley-Blackwell
• Ämne: Organic Chemistry; Natural Sciences; Physical Sciences
• Status: Published
• ISBN/ISSN/Övrigt: ISSN: 2052-5206