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首页> 外文期刊>International Journal of Quantum Chemistry >Two new organo-inorganic hybrid compounds: Nitrilophosphonates of aluminum and copper
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Two new organo-inorganic hybrid compounds: Nitrilophosphonates of aluminum and copper

机译:两种新的有机-无机杂化化合物:铝和铜的亚硝基膦酸酯

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摘要

Two new organo-inorganic hybrid compounds, aluminum nitrilotris(methylene)trismonohydrogenphosphonate hydrate, Al[(HO3PCH2)(3)N]H2O, and tricopper(II) bis-nitrilobis(methylene)diphosphonate, Cu-3[(O3PCH2)(2)NH2](2), have been synthesized. The crystal structures have been determined ab initio from powder diffraction data and refined by the Rietveld method. Al[(HO3PCH2)(3)N]H2O is monoclinic, space group P2(1), with a = 12.1945(3) Angstrom, b = 9.1129(3) Angstrom, c = 8.5495(2) Angstrom, beta = 94.317(2)degrees, Z = 4, and the X-ray powder diffraction pattern has been refined to R-wP = 8.7%. Cu-3[(O3PCH2)(2)NH2](2) is orthorhombic, space group Pbca, with a = 16.1209(6) Angstrom, b = 9.4890(4) Angstrom, c = 9.4113(4) Angstrom, Z = 4 and its pattern was refined to R-wP = 13.5%. The crystal structure of aluminum phosphonate contains a close packing of inorganic chains, formed by alternating AlO6 octahedra and O3PC tetrahedra. These chains are covalently interconnected by the organic groups to give the 3D framework. The structure of copper phosphonate has two distinct copper environments, one a tetragonally elongated tetrahedron and the other a distorted square plane. These structural units are linked by the organic phosphonate. Thermal and infrared data are discussed. (C) 2001 Academic Press. [References: 25]
机译:两种新的有机-无机杂化化合物,次氮基三(亚甲基)三单氢膦酸铝水合物Al [(HO3PCH2)(3)N] H2O和三铜(II)双-次氮基(亚甲基)二膦酸酯,Cu-3 [(O3PCH2)(2 )NH2](2),已经合成。晶体结构从头开始由粉末衍射数据确定,并通过Rietveld方法精制。 Al [(HO3PCH2)(3)N] H2O是单斜晶系,空间群P2(1)/ n,a = 12.1945(3)埃,b = 9.1129(3)埃,c = 8.5495(2)埃,beta = 94.317(2)度,Z = 4,并且X射线粉末衍射图已经精修到R-wP = 8.7%。 Cu-3 [(O3PCH2)(2)NH2](2)是正交的空间群Pbca,a = 16.1209(6)埃,b = 9.4890(4)埃,c = 9.4113(4)埃,Z = 4并将其模式细化为R-wP = 13.5%。膦酸铝的晶体结构包含紧密堆积的无机链,这些无机链是由交替的AlO6八面体和O3PC四面体形成的。这些链通过有机基团共价互连,形成3D框架。膦酸铜的结构具有两个不同的铜环境,一个是四边形细长的四面体,另一个是扭曲的方形平面。这些结构单元通过有机膦酸酯连接。讨论了热和红外数据。 (C)2001学术出版社。 [参考:25]

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