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

doi:10.1016/j.molstruc.2003.08.027

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

Department of Chemistry

Research output: Contribution to journal › Article › peer-review

136 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, D_calc=2.359gcm^-3.

Original language	English (US)
Pages (from-to)	11-31
Number of pages	21
Journal	Journal of Molecular Structure
Volume	688
Issue number	1-3
DOIs	https://doi.org/10.1016/j.molstruc.2003.08.027
State	Published - 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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A three-dimensional bimetallic oxide constructed from octamolybdate clusters and copper-ligand cation polymer subunits. A comment on the stability of the octamolybdate isomers. / Allis, Damian G.; Rarig, Randy S.; Burkholder, Eric et al.
In: Journal of Molecular Structure, Vol. 688, No. 1-3, 21.01.2004, p. 11-31.

Research output: Contribution to journal › Article › peer-review

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

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){\AA}, β=116.855(1)°, V=6591.2(4){\AA} 3, Z=4, Dcalc=2.359gcm-3.",

keywords = "Building block approach, Hartree-Fock calculations, Hydrothermal synthesis, Octamolybdate, Organic-inorganic hybrid, Three-dimensional oxide",

author = "Allis, {Damian G.} and Rarig, {Randy S.} and Eric Burkholder and Jon Zubieta",

note = "Funding Information: This work was supported by a grant from the National Science Foundation, CHE-0242153.",

year = "2004",

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doi = "10.1016/j.molstruc.2003.08.027",

language = "English (US)",

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T1 - A three-dimensional bimetallic oxide constructed from octamolybdate clusters and copper-ligand cation polymer subunits. A comment on the stability of the octamolybdate isomers

AU - Allis, Damian G.

AU - Rarig, Randy S.

AU - Burkholder, Eric

AU - Zubieta, Jon

N1 - Funding Information: This work was supported by a grant from the National Science Foundation, CHE-0242153.

PY - 2004/1/21

Y1 - 2004/1/21

N2 - 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.

AB - 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.

KW - Building block approach

KW - Hartree-Fock calculations

KW - Hydrothermal synthesis

KW - Octamolybdate

KW - Organic-inorganic hybrid

KW - Three-dimensional oxide

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

Abstract

Keywords

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