具有螺旋结构的新型硼磷酸盐化合物:(NH_4)_(0.5)(H_3O)_(0.5)Mg(H_2O)_2BP_2O_8  

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

作　　者：石恒真[1] 单永奎[1] 何鸣元[1] 戴立益[1] 刘煜炎[2] 翁林红[3] 

机构地区：[1]华东师范大学化学系 [2]华东师范大学国家教育部量子光学开放实验室,上海200062 [3]复旦大学化学系,上海200433

出　　处：《化学学报》2003年第5期711-714,共4页Acta Chimica Sinica

基　　金：国家自然科学基金 (No .2 0 1 730 1 7);国家重点基础研究项目 (No.G2 0 0 0 0 4 8)资助项目

摘　　要：利用水热方法合成新型硼磷化合物 (NH4) 0 .5(H3 O) 0 .5Mg(H2 O) 2 BP2 O8,单晶X射线衍射分析证明化合物属六方晶系 ,空间群为P652 2 ,a =0 .945 0 7( 19)nm ,c=1.5 80 3 ( 5 )nm ,γ =12 0° ,V =1.2 2 2 4( 5 )nm3 ,Mr=2 79.0 6,Dc=2 .2 5 8g/cm3 ,Z =6,F( 0 0 0 ) =83 4,μ =0 .663mm-1.结构中BO4,PO4基团形成1∞{[BP2 O8] 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NH+ 4 和质子 .NH+ 4 占据螺旋带螺旋纹内 ,质子化的水分子靠近螺旋带通道的内侧 。A new borophosphate compound, (NH4)(0.5) (H3O)(0.5)Mg(H2O)(2)BP2O8, was prepared by hydrothermal synthesis and characterized by X-ray single crystal diffraction. The title compound belongs to hexagonal system,. space group P6(5)22, a = 0. 94507 (19) nm, c = 1. 5803 (5) nm, gamma = 120degrees, V = 1. 2224 (5) nm(3), M-r = 279.06, Z = 6, D-c = 2.258 g/cm(3), F (000) = 834, R-1 = 0.0360, wR(2) = 0.1070, mu = 0.663 mm(-1). The crystal structure of the compound contains infinite one-dimensional borophosphate ribbons (1)(infinity) {[BP2O8](3-)} built of corner sharing BO4 and PO4 tetrahedra arranged around 6(5) screw axes. The borophosphate helices are interconected. 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 (1)(infinity)[BP2O8](3-)}, respectively, balancing charge and stabilizing helical ribbons.

关 键 词：螺旋结构 硼磷酸盐化合物 水热方法 合成 单晶X射线衍射分析 六方晶系 结构 

分 类 号：TQ126.3[化学工程—无机化工]