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 language | English |
|---|---|
| Pages (from-to) | 382-389 |
| Number of pages | 8 |
| Journal | Crystal Growth and Design |
| Volume | 6 |
| Issue number | 2 |
| DOIs | |
| Publication status | Published - Feb 2006 |
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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 journal › Article
}
TY - JOUR
T1 - Evidence for nonpolar alignment of [NbOF5]2- anions in Cd(pyridine)4NbOF5 chains
AU - Guillory, Paulette C R
AU - Kirsch, Janet E.
AU - Izumi, Heather K.
AU - Stern, Charlotte L.
AU - Poeppelmeier, Kenneth R
PY - 2006/2
Y1 - 2006/2
N2 - 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.
AB - 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.
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U2 - 10.1021/cg050331t
DO - 10.1021/cg050331t
M3 - Article
VL - 6
SP - 382
EP - 389
JO - Crystal Growth and Design
JF - Crystal Growth and Design
SN - 1528-7483
IS - 2
ER -