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

Damian G. Allis, Randy S. Rarig, Eric Burkholder, Jon Zubieta

Research output: Contribution to journalArticle

128 Scopus citations

Abstract

Hydrothermal reactions of CuSO4·5H2O, MoO 3 and tetra-2-pyridylpyrazine (tpyrpyz) yield the three-dimensional bimetallic oxide hybrid material [{Cu2(tpyrpyz)}2{ζ- Mo8O26}]·7H2O (1.7H2O). The framework structure is constructed from {Cu2(tpyrpyz)} n 2n+ cationic polymer chains linked through octamolybdate clusters. The ζ-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 {Mo 8O26}4- cluster, and calculations of their relative energies and interconversions are presented. Crystal data: C 48H46Cu4Mo8N12O 33 (1.7H2O), monoclinic C2/c, a=26.678(1), b=10.8981(4), and c=25.4109(9)Å, β=116.855(1)°, V=6591.2(4)Å 3, Z=4, Dcalc=2.359gcm-3.

Original languageEnglish (US)
Pages (from-to)11-31
Number of pages21
JournalJournal of Molecular Structure
Volume688
Issue number1-3
DOIs
StatePublished - Jan 21 2004

Keywords

  • Building block approach
  • Hartree-Fock calculations
  • Hydrothermal synthesis
  • Octamolybdate
  • Organic-inorganic hybrid
  • Three-dimensional oxide

ASJC Scopus subject areas

  • Analytical Chemistry
  • Spectroscopy
  • Organic Chemistry
  • Inorganic Chemistry

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