A new octamolybdate:: observation of the θ-isomer in [Fe(tpyprZ)2]2[Mo8O26]•.3.7H2O (tpyprz = tetra-2-pyridylpyrazine)

被引：105

作者：

Allis, DG ^{[1
]}

Burkholder, E ^{[1
]}

Zubieta, J ^{[1
]}

机构：

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

来源：

POLYHEDRON | 2004年 / 23卷 / 07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.poly.2004.01.011

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

The hydrotherrial reaction of Fe(CH3CO2)(2), tetra-2-pyridylpyrazine (tpyprz) and (NH4)(6)Mo(7)O(24)(.)4H(2)O yields purple crystals of [Fe(tpyprz)(2)](2)[Mo8O26](.)3.7H(2)O. The discrete octamolybdate anions represent a Dew isomeric form, theta-[Mo8O26](4-). The cluster anion consists of tour octahedra, two square pyramids, and two tetrahedra in an edge- and corner-sharing arrangement. A computational study of the isomer using both a single-point energy calculation of the crystallographic coordinates and a geometry optimization of the isomer at the Restricted Hartree-Fock level of theory illustrates the similarities of the theta-isomer and the low energy delta-isomer reported previously. (C) 2004 Elsevier Ltd. All rights reserved.

引用

页码：1145 / 1152

页数：8

共 48 条

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