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首页> 外文期刊>International Journal of Quantum Chemistry >[Zn-2(HPO3)(2)(H2PO3)][C3H5N2] and [Zn-2(HPO3)(3)][C4H7N2](2)center dot 2H(2)O: Two new layered zinc phosphites with double 12-membered rings templated by imidazole and 2-methylimidazole
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[Zn-2(HPO3)(2)(H2PO3)][C3H5N2] and [Zn-2(HPO3)(3)][C4H7N2](2)center dot 2H(2)O: Two new layered zinc phosphites with double 12-membered rings templated by imidazole and 2-methylimidazole

机译:[Zn-2(HPO3)(2)(H2PO3)] [C3H5N2]和[Zn-2(HPO3)(3)] [C4H7N2](2)中心点2H(2)O:两个新的亚磷酸锌层咪唑和2-甲基咪唑为模板的12元环

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Two new zinc phosphites [Zn-2(HPO3)(2)(H2PO3)][C3H5N2] I and [Zn-2(HPO3)(3)][C4H7N2](2) center dot 2H(2)O 2 have been hydrothermally synthesized templated by imidazole and 2-methylimidazole. Single-crystal X-ray diffraction analysis reveals that the two Compounds have the similar inorganic framework structures, which both exhibit 2D double layer Structures with double 12-membered rings. Due to the different space-filling effect of the guest Molecules, the stacking mode of adjacent layers and the arrangement mode of the organic amines are distinct. In 1. the adjacent layers are stacked in an -ABAB- sequence and monoprotonated imidazole molecules sit in the middle of 12MR windows, while in 2, the layers arc stacked in an -AAAA- pattern. Monoprotonated 2-methylimidazole Molecules Occupy two different sites, one inserts into 12MR and the other resides in the interlayer region. Crystal data for 1: triclinic, P-1, a = 8.8815(18)angstrom, b = 9.0132(18) angstrom, c = 10.030(2) angstrom, alpha = 114.71(3)degrees, beta = 92.78(3)degrees, gamma = 113.04(3)degrees, V = 649.3(2)angstrom(3), Z = 2: for 2: triclinic, P-1, a = 9.883(4) angstrom, b = 10.517(4) angstrom, c = 11.814(5) angstrom, alpha = 68.244(7)degrees, beta = 76.143(7)degrees, gamma = 63.113(6)degrees, V = 1013.3(7) angstrom(3) Z = 2. (C) 2006 Elsevier Inc. All rights reserved.
机译:已经有两个新的亚磷酸锌[Zn-2(HPO3)(2)(H2PO3)] [C3H5N2] I和[Zn-2(HPO3)(3)] [C4H7N2](2)中心点2H(2)O 2水热合成的咪唑和2-甲基咪唑为模板。 X射线单晶衍射分析表明这两种化合物具有相似的无机骨架结构,均显示具有双12元环的2D双层结构。由于客体分子的空间填充作用不同,相邻层的堆积模式和有机胺的排列模式是不同的。在图1中,相邻的层以-ABAB-顺序堆叠,单质子化的咪唑分子位于12MR窗口的中间,而在图2中,层以-AAAA-图案堆叠。单质子化的2-甲基咪唑分子占据两个不同的位点,一个插入12MR,另一个位于中间层区域。 1:三斜晶系的晶体数据,P-1,a = 8.8815(18)埃,b = 9.0132(18)埃,c = 10.030(2)埃,alpha = 114.71(3)度,beta = 92.78(3)度,gamma = 113.04(3)度,V = 649.3(2)埃(3),Z = 2:对于2:三斜晶系,P-1,a = 9.883(4)埃,b = 10.517(4)埃,c = 11.814(5)埃,阿尔法= 68.244(7)度,贝塔= 76.143(7)度,伽马= 63.113(6)度,V = 1013.3(7)埃(3)Z = 2.(C)2006爱思唯尔Inc.保留所有权利。

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