Evidence for nonpolar alignment of [NbOF5]2- anions in Cd(pyridine)4NbOF5 chains

Paulette C R Guillory, Janet E. Kirsch, Heather K. Izumi, Charlotte L. Stern, Kenneth R Poeppelmeier

Research output: Contribution to journalArticle

19 Citations (Scopus)

Abstract

A new phase of Cd(py)4NbOF5 (py = pyridine) (A) is a rare example of a mixed metal oxide fluoride in an ordered linear chain structure. This phase is of particular interest because it is a polymorph of a previously reported Cd(py)4NbOF5 phase (B) that crystallizes in disordered linear chains. The ordered polymorph A contains two distinct Cd2+ sites: one which is coordinated to the oxide ligands from two [NbOF5]2- units, and another that is coordinated to two trans fluoride ligands. As a result, the structure of polymorph A features nonpolar linear chains with locally ordered [NbOF5] 2- anions. This ordering is explained in terms of the inherent electronic differences between oxide and fluoride ligands. The stabilization provided by π-stacking interactions between pyridine ligands on neighboring chains, as well as the effects of reactant stoichiometry on the general structure of the products in the CdO·1/2Nb2O 5/(HF)x·py/H2O system, is also discussed. Crystal data for the ordered Cd(py)4NbOF5 polymorph: monoclinic space group P21/c (No. 14) with a = 14.097(1) Å, b = 16.353(1) Å, c = 10.4380(9) Å, β = 95.569(2)°, and Z = 4.

Original languageEnglish
Pages (from-to)382-389
Number of pages8
JournalCrystal Growth and Design
Volume6
Issue number2
DOIs
Publication statusPublished - Feb 2006

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Polymorphism
Pyridine
Anions
pyridines
Negative ions
Fluorides
Ligands
alignment
Oxides
anions
fluorides
ligands
oxides
mixed oxides
Stoichiometry
metal oxides
stoichiometry
Stabilization
stabilization
Metals

ASJC Scopus subject areas

  • Chemistry(all)
  • Materials Science(all)
  • Condensed Matter Physics

Cite this

Evidence for nonpolar alignment of [NbOF5]2- anions in Cd(pyridine)4NbOF5 chains. / Guillory, Paulette C R; Kirsch, Janet E.; Izumi, Heather K.; Stern, Charlotte L.; Poeppelmeier, Kenneth R.

In: Crystal Growth and Design, Vol. 6, No. 2, 02.2006, p. 382-389.

Research output: Contribution to journalArticle

Guillory, Paulette C R ; Kirsch, Janet E. ; Izumi, Heather K. ; Stern, Charlotte L. ; Poeppelmeier, Kenneth R. / Evidence for nonpolar alignment of [NbOF5]2- anions in Cd(pyridine)4NbOF5 chains. In: Crystal Growth and Design. 2006 ; Vol. 6, No. 2. pp. 382-389.
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abstract = "A new phase of Cd(py)4NbOF5 (py = pyridine) (A) is a rare example of a mixed metal oxide fluoride in an ordered linear chain structure. This phase is of particular interest because it is a polymorph of a previously reported Cd(py)4NbOF5 phase (B) that crystallizes in disordered linear chains. The ordered polymorph A contains two distinct Cd2+ sites: one which is coordinated to the oxide ligands from two [NbOF5]2- units, and another that is coordinated to two trans fluoride ligands. As a result, the structure of polymorph A features nonpolar linear chains with locally ordered [NbOF5] 2- anions. This ordering is explained in terms of the inherent electronic differences between oxide and fluoride ligands. The stabilization provided by π-stacking interactions between pyridine ligands on neighboring chains, as well as the effects of reactant stoichiometry on the general structure of the products in the CdO·1/2Nb2O 5/(HF)x·py/H2O system, is also discussed. Crystal data for the ordered Cd(py)4NbOF5 polymorph: monoclinic space group P21/c (No. 14) with a = 14.097(1) {\AA}, b = 16.353(1) {\AA}, c = 10.4380(9) {\AA}, β = 95.569(2)°, and Z = 4.",
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