新颖的咪唑官能化夹心型钨铋酸盐超分子化合物的合成与晶体结构

在常规条件下合成了一个新颖的超分子化合物Na8H{Na(H2O)}3{Mn(C3H4N2)}3(BiW9O33)2]·32H2O, 通过X射线单晶结构分析、红外光谱及元素分析对该化合物进行了表征. 结果表明, 该化合物属六方晶系, P6(3)/m空间群. 晶胞参数a=1.394 8(4) nm, b=1.394 8(4) nm, c=3.348 6(19) nm, γ=120°, V = 5.641(4) nm3, Z=12. 该化合物是以α-B-BiW9钨铋酸盐为基本构筑单元的夹心结构化合物. 夹层中心3个Mn2+分别与3个咪唑分子配位形成无机-有机杂化材料. 3个{Na(H2O)}3{Mn(C3H4N2)}3(BiW9O33)2]9-多阴离子结构基元利用氢键(非典型氢键)沿ab面构筑成具有三角形空穴的二维层状骨架结构. 这种二维层状结构利用氢键作用沿c轴方向交错排列, 形成了含有一维六边形孔道的三维超分子结构.

Synthesis and Crystal Structure of a Novel Superamolecular Compound Based on Imidazole Functionalized Sandwich Type of Tungstobismutate

A novel superamolecular compound, Na8H{Na(H2O)}3{Mn(C3H4N2)}3(BiW9O33)2]·32H2O, was synthesized under the open-air conditions, and characterized by X-ray single-crystal diffraction, IR spectra and elemental analysis. The crystal belongs to hexagonal system, space group P6(3)/m with a=1.394 8(4) nm, b=1.394 8(4) nm, c=3.348 6(19) nm, γ=120°, V = 5.641(4) nm3, Z=12. The crystal structure consists of two α-B-BiW9 subunits and displays a sandwich type polyanion linked by three Mn2+ ions between the two α-B-BiW9 units and the Mn2+ ions coordinate an imidazole molecule, respectively. Thus, this compound can be considered as a new kind of inorganic-organic hybrid materials. Moreover, three neighboring {Na(H2O)}3{Mn(C3H4N2)}3(BiW9O33)2]9- polyanions form a triangle cavity through the nonclassical hydrogen bonds and such units extend further along ab plane to construct two-dimensional layered framework. Such two-dimensional layered structure further pack each other interlacedly along c axis to construct an interesting three-dimensional supramolecular framework containing a one-dimensional hexagonal channels.