Synthesis, structural characterization and DFT calculations of a new one-dimensional diorganotin(IV) derivative of N -isonicotinyl phosphoramide
作者: Khodayar GholivandForoogh MolaeiMaryam RajabiMehdi D. EsrafiliMahdieh Hosseini
作者单位: 1Department of Chemistry, Faculty of Sciences, Tarbiat Modares University, P.O. Box 14115-175, Tehran, Iran
2Laboratory of Theoretical Chemistry, Department of Chemistry, University of Maragheh, Maragheh, Iran
刊名: Polyhedron, 2014, Vol.71 , pp.8-16
来源数据库: Elsevier Journal
DOI: 10.1016/j.poly.2014.01.001
关键词: DiorganotinPhosphoric triamideX-ray structureHirshfeld surfaceDFT calculations
英文摘要: Abstract(#br)A new diorganotin complex with formula {SnCl 2 (CH 3 ) 2 L } n ( 1 ), L = N -isonicotinyl, N ′ , N ″ -bis(α-methylbenzyl) phosphoric triamide, was synthesized and characterized on the basis of elemental analysis, IR and multinuclear NMR spectroscopy. Solid state structure of 1 was established by single crystal X-ray diffraction, revealing a distorted octahedral geometry for Sn, with trans -(dimethyl), cis -(Cl 2 ) and cis -( L 2 ) configuration. Coordination of L from O phosphoryl and N pyridine , as a bridging bidentate ligand, resulted in infinite 1D polymeric chains along b axis. Non-covalent interactions, i.e. hydrogen bonding, π–π stacking and CH⋯HC contacts further connected the chains into a 3D framework. The main intermolecular...
全文获取路径: Elsevier  (合作)
影响因子:1.813 (2012)