A novel Zn(II) complex of N -nicotinyl phosphoramide: Combined experimental and computational studies
作者: Khodayar GholivandForoogh MolaeiJérôme Thibonnet
作者单位: 1Department of Chemistry, Faculty of Sciences, Tarbiat Modares University, P.O. Box 14115-175, Tehran, Iran
2Université François Rabelais, Département de Chimie, 32 Avenue Monge, 37200 Tours, France
刊名: Journal of Molecular Structure, 2015, Vol.1092 , pp.130-136
来源数据库: Elsevier Journal
DOI: 10.1016/j.molstruc.2015.03.020
关键词: Phosphoric triamideZn(II) complexCrystal structureDFTNBOQTAIM
英文摘要: Abstract(#br)A novel Zn(II) coordination polymer of N -nicotinyl phosphoric triamide ligand, {[Zn(L) 2 (H 2 O) 2 ]⋅(NO 3 ) 2 } n C1 (L=3-NC 5 H 4 C(O)NHP(O)(NC 6 H 12 ) 2 ), has been synthesized and characterized by IR and 1 H, 13 C, 31 P NMR spectroscopy. Crystal structure analysis of C1 demonstrates a distorted octahedral geometry for Zn(II) ions. The oxygen atom of phosphoryl group (O phosphoryl ) and the nitrogen atom of pyridine ring (N pyridine ) of ligand take part in coordination to Zn(II) centers in a bidentate bridging mode. This coordination pattern results in infinite 1D polymeric chains along c axis, which are composed of metal shared 16-membered puckered rings. Structural data show that despite binding through O phosphoryl , the...
全文获取路径: Elsevier  (合作)
影响因子:1.404 (2012)