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化学学报
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化学学报 ›› 2003, Vol. 61 ›› Issue (5): 711-714. 上一篇    下一篇

研究论文

具有螺旋结构的新型硼磷酸盐化合物:(NH4)0.5(H3O)0.5Mg(H2O)2BP2O8

石恒真;单永奎;何鸣元;戴立益;刘煜炎;翁林红   

  1. 华东师范大学化学系;华东师范大学;复旦大学化学系
  • 发布日期:2003-05-15

A New Borophosphate Compound with Helix Structure: (NH_4)_(0.5) (H_3O)_(0.5)Mg(H_2O)_2BP_2O_8

Shi Hengzhen;Shan Yongkui;He Mingyuan;Dai Liyi;Liu Yuyan;Weng Linhong   

  1. Department of Chemistry, East China Normal University;Laboratory of Quantum Optics of National Education Commission, East China Normal University;Department of Chemistry, Fudan University
  • Published:2003-05-15

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被引次数

1

利用水热方法合成新型硼磷化合物:(NH4)0.5(H3O)0.5Mg(H2O)2BP2O8,单晶X射 线衍射分析证明化合物属六方晶系,空间群为P6522,a=0.94507(19)nm,c=1.5803(5) nm,γ=120°,V=1.2224(5)nm^3,Mr=279.06,Dc=2.258g/cm^3,Z=6,F(000)=834,μ =0.663mm^-1。结构中BO4，PO4基团形成∞^1{[BP2O8]^3-}的螺旋带与MgO6相连构 成八面体-四面体空间骨架，元素分析、IR光谱、热重差热分析和电荷平衡计算证 明晶体中含有NH4^+和质子。NH4^+占据螺旋带螺旋纹内，质子化的水分靠近螺旋带 通道的内侧，两者均起到平衡电荷和稳定骨架的作用。

关键词: 硼磷酸盐, 水热反应, X射线分析, 晶体结构, 元素分析, 红外分光光度法, 螺旋化合物

A new borophosphate compound, (NrttVsCHaOVsMgC^O^I^Og, was prepared by hydrothermal synthesis and characterized by X-ray single crystal diffraction. The title compound belongs to hexagonal system, space group P6522, o=0.94507(19) nm, e = 1.5803(5) nm, 7 = 120°, V= 1.2224 (5) nm3, Mr = 279.06, Z = 6, Da = 2.258 g/cm3, F(000) = 834, Rx = 0. 0360, wR2 = 0.1070, p. = 0.663 mm"1. The crystal structure of the compound contains infinite one-dimensional borophosphate ribbons L ( [BP2O8]3~ | , built of corner sharing BO4 and PO4 tetrahedra arranged around 65 screw axes. The borophosphate helices are interconnected by MgO4(H2O)2 coordination octahedra to form a three-dimensional framework. The elemental analysis, IR, DTA/TGA and the calculation of the electric charge balance show the presence of ammonium ions and protons. Both ammonium ions and hydroniums are located within the free loop of helical ribbons, and close to the inner wall of the helical channels L I tBP2O8]3" I , respectively, balancing charge and stabilizing helical ribbons.

Key words: borophosphate, HYDRO-THERMAL REACTION, XRD, CRYSTAL STRUCTURE, ELEMENTAL ANALYSIS, IR, SPIRO COMPOUNDS

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