A three-dimensional bimetallic oxide constructed from octamolybdate clusters and copper-ligand cation polymer subunits. A comment on the stability of the octamolybdate isomers

被引：138

作者：

Allis, DG ^{[1
]}

Rarig, RS ^{[1
]}

Burkholder, E ^{[1
]}

Zubieta, J ^{[1
]}

机构：

[1] Syracuse Univ, Dept Chem, Syracuse, NY 13244 USA

来源：

JOURNAL OF MOLECULAR STRUCTURE | 2004年 / 688卷 / 1-3期

基金：

美国国家科学基金会;

关键词：

octamolybdate; hydrothermal synthesis; three-dimensional oxide; organic-inorganic hybrid; building block approach; Hartree-Fock calculations;

D O I：

10.1016/j.molstruc.2003.08.027

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：

Hydrothermal reactions Of CuSO4.5H(2)O, MoO3 and tetra-2-pyridylpyrazine (tpyrpyz) yield the three-dimensional bimetallic oxide hybrid material [{Cu-2(tpyrpyz)}(2){zeta-Mo8O26}].7H(2)O (1.7H(2)O). The framework structure is constructed from {Cu-2(tpyrpyz)}(n)(2n+) cationic polymer chains linked through octamolybdate clusters. The zeta-isomer of {Mo8O26}(4-), consisting of four octahedral and four square pyramidal sites is present as the cluster building block. There are now seven isomeric forms of the {Mo8O26}(4-) cluster, and calculations of their relative energies and interconversions are presented. Crystal data: C48H46Cu4Mo8N12O33 (1.7H(2)O), monoclinic C2/c, a = 26.678(l), b = 10.8981(4), and c = 25.4109(9) Angstrom, beta = 116.855(l)degrees, V = 6591.2(4) Angstrom(3), Z = 4, D-calc = 2.359 g cm(-3). (C) 2003 Elsevier B.V. All rights reserved.

引用

页码：11 / 31

页数：21

共 100 条

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