首页> 外文期刊>International Journal of Quantum Chemistry >(C5H16N2)center dot[Zn-3(HPO3)(4)]center dot H2O: A new three-dimensional zincophosphite with 12-membered ring channels and infinite edge shared 4-membered ring ladders
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(C5H16N2)center dot[Zn-3(HPO3)(4)]center dot H2O: A new three-dimensional zincophosphite with 12-membered ring channels and infinite edge shared 4-membered ring ladders

机译:(C5H16N2)中心点[Zn-3(HPO3)(4)]中心点H2O:具有12元环通道和无限边共享4元环梯的新型三维亚磷酸锌

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摘要

Employing 3-dimethylamino-1-propylamine as a template, a new three-dimensional (3-D) zincophosphite (C5H16N2)center dot[Zn-3(HPO3)(4)] center dot H2O has been prepared under hydrothermal conditions and characterized by single-crystal X-ray diffraction (XRD), FTIR, elemental analysis, powder XRD, and thermogravimetric analysis (TGA). The compound crystallizes in the triclinic space group P (1) over bar, with cell parameters, a = 8.9884(2)angstrom, b = 10.326(2)angstrom, c = 11.917(2)angstrom, alpha = 66.98(3)degrees, beta = 89.01(3)degrees, and gamma = 78.98(3)degrees, V = 997.2(3) angstrom(3) and Z = 2. The connectivity of the ZnO4 tetrahedra and HPO3 pseudo pyramids results in inifinite edge-sharing, ladderlike chains of 4-membered rings, which are further linked by Zn-O-P bonds to form a 3-D structure that with interesting 12-membered ring channels along the [100] and [001] directions. The diprotonated amine molecules sit in the middle of the channels along the [100] direction and interact with the framework via hydrogen bonds. There also exist channels with 8-membered ring window along the [100] and [010] directions. (c) 2006 Elsevier Inc. All rights reserved.
机译:以3-二甲基氨基-1-丙胺为模板,在水热条件下制备了新的三维(3-D)亚磷酸锌(C5H16N2)中心点[Zn-3(HPO3)(4)]中心点H2O。通过单晶X射线衍射(XRD),FTIR,元素分析,粉末XRD和热重分析(TGA)。该化合物在棒上的三斜晶空间群P(1)中结晶,单元参数为a = 8.9884(2)埃,b = 10.326(2)埃,c = 11.917(2)埃,alpha = 66.98(3)度,β= 89.01(3)度,γ= 78.98(3)度,V = 997.2(3)埃(3),Z =2。ZnO4四面体和HPO3伪金字塔的连通性导致无限的边缘共享, 4元环的梯状链,进一步通过Zn-OP键连接形成3-D结构,该结构具有沿[100]和[001]方向有趣的12元环通道。双质子化的胺分子沿[100]方向位于通道的中间,并通过氢键与骨架相互作用。也存在沿[100]和[010]方向带有8元环窗的通道。 (c)2006 Elsevier Inc.保留所有权利。

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