Synthesis and crystal structure of a new supermolecular compound:: [C12H24O6][H3PMo12O40]•22H2O (C12H24O6=18-crown-6)

被引：55

作者：

You, WS

Wang, EB ^{[1
]}

He, QL

Xu, L

Xing, Y

Jia, HQ

机构：

[1] NE Normal Univ, Dept Chem, Changchun 130024, Peoples R China

[2] Acad Sinica, Changchun Inst Appl Chem, Changchun 130022, Peoples R China

来源：

JOURNAL OF MOLECULAR STRUCTURE | 2000年 / 524卷

关键词：

molybdophosphate; crown ethers; oxonium ion; hydrogen bonds; X-ray crystallography;

D O I：

10.1016/S0022-2860(99)00447-0

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The title compound, [C12H24O6][H3PMo12O40]. 22H(2)O, was synthesized by the self-assembly of 18-crown-6 (abbreviated as C12H24O6 or 18C6) and H3PMo12O40 in the mixed solvent of CH3OH and CH3CN, and was characterized by IR, H-1 NMR and Xray diffraction for the first time. Crystal data: Triclinic, P (1) over bar, a = 13.428(3) Angstrom, b = 13.557(3)A, c = 14.642(3) Angstrom, a = 105.39(3)degrees, beta = 90.06(3)degrees, gamma = 119.56(5)degrees, V = 2207.5(8) Angstrom(3), Z = 1, R1 = 0.0719, wR2 = 0.1990. It has a disordered alpha-Keggin PMo12O403- anion, which contains the strong alternating short (mean 1.844 Angstrom) and long (mean 1.958 Angstrom) Mo-O-Mo bonds. In the unit cell, crown ethers and molybdophosphates are alternatively arranged in good order along c-axis. An oxonium ion is located at the center of a crown ether molecule., Oxonium ion interacts with 18C6 by the means of hydrogen bonds (mean 2.7771 Angstrom), which are electrostatic or resonant. The observations show the existence of [H3O(C12H24O6)](+) (C) 2000 Elsevier Science B.V. All rights reserved.

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页码：133 / 139

页数：7

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