Orientational order of [VOF 5] 2- and [NbOF 5] 2- polar units in chains

Romain Gautier; Martin D. Donakowski; Kenneth R. Poeppelmeier

doi:10.1016/j.jssc.2012.01.033

Orientational order of [VOF ₅] ^2- and [NbOF ₅] ^2- polar units in chains

Romain Gautier, Martin D. Donakowski, Kenneth R. Poeppelmeier^*

^*Corresponding author for this work

Chemistry

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

36 Scopus citations

Abstract

The generation of polarity in the solid state necessitates ordered, polar basic-building units (BBUs). This paper examines the evolution of ordered BBUs of 1D chains constructed of early transition metals (ETMs) and late transition metals. The cause of polar distortion orientation is illustrated with subtle alterations in the heterotypic structures of one previously reported compound (CuNbOF ₅(H ₂O) ₂(pyz) ₃) and three new hybrid materials, presented here: CuNbOF ₅(H ₂O) ₄(pyz) ₂ (1), CuVOF ₅(H ₂O) ₄(pyz) ₂ (2) and CuVOF ₅(H ₂O) ₂(pyz) ₃ (3) (pyz=pyrazine). In contrast to the [NbOF ₅] ^2- octahedra of CuNbOF ₅(H ₂O) ₂(pyz) ₃ and compound (1) that have oxide ligands within the 1D BBUs, the [VOF ₅] ^2- octahedra of compounds (2) and (3) contain disordered oxide ligands perpendicular to the chains. To create polar 1D BBUs in the solid state, one must have an understanding of how to direct distortions. We demonstrate that the choice of specific polar BBUs within a distinct environment is necessary for orientational order of the ETM anions.

Original language	English (US)
Pages (from-to)	132-139
Number of pages	8
Journal	Journal of Solid State Chemistry
Volume	195
DOIs	https://doi.org/10.1016/j.jssc.2012.01.033
State	Published - Nov 2012

Funding

This work was supported by funding from the National Science Foundation (Solid State Chemistry Award Nos. DMR-1005827 ). The single crystal X-ray data were acquired at Northwestern University’s Integrated Molecular Structure Education and Research Center (IMSERC). We additionally thank Amy Sarjeant and Charlotte Stern for discussions regarding the crystal structures.

Keywords

Linear chain
Orientational ordering
Oxyfluorides

ASJC Scopus subject areas

Electronic, Optical and Magnetic Materials
Ceramics and Composites
Condensed Matter Physics
Physical and Theoretical Chemistry
Inorganic Chemistry
Materials Chemistry

Access to Document

10.1016/j.jssc.2012.01.033

Cite this

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title = "Orientational order of [VOF 5] 2- and [NbOF 5] 2- polar units in chains",

abstract = "The generation of polarity in the solid state necessitates ordered, polar basic-building units (BBUs). This paper examines the evolution of ordered BBUs of 1D chains constructed of early transition metals (ETMs) and late transition metals. The cause of polar distortion orientation is illustrated with subtle alterations in the heterotypic structures of one previously reported compound (CuNbOF 5(H 2O) 2(pyz) 3) and three new hybrid materials, presented here: CuNbOF 5(H 2O) 4(pyz) 2 (1), CuVOF 5(H 2O) 4(pyz) 2 (2) and CuVOF 5(H 2O) 2(pyz) 3 (3) (pyz=pyrazine). In contrast to the [NbOF 5] 2- octahedra of CuNbOF 5(H 2O) 2(pyz) 3 and compound (1) that have oxide ligands within the 1D BBUs, the [VOF 5] 2- octahedra of compounds (2) and (3) contain disordered oxide ligands perpendicular to the chains. To create polar 1D BBUs in the solid state, one must have an understanding of how to direct distortions. We demonstrate that the choice of specific polar BBUs within a distinct environment is necessary for orientational order of the ETM anions.",

keywords = "Linear chain, Orientational ordering, Oxyfluorides",

author = "Romain Gautier and Donakowski, {Martin D.} and Poeppelmeier, {Kenneth R.}",

note = "Funding Information: This work was supported by funding from the National Science Foundation (Solid State Chemistry Award Nos. DMR-1005827 ). The single crystal X-ray data were acquired at Northwestern University{\textquoteright}s Integrated Molecular Structure Education and Research Center (IMSERC). We additionally thank Amy Sarjeant and Charlotte Stern for discussions regarding the crystal structures. ",

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doi = "10.1016/j.jssc.2012.01.033",

language = "English (US)",

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AU - Gautier, Romain

AU - Donakowski, Martin D.

AU - Poeppelmeier, Kenneth R.

N1 - Funding Information: This work was supported by funding from the National Science Foundation (Solid State Chemistry Award Nos. DMR-1005827 ). The single crystal X-ray data were acquired at Northwestern University’s Integrated Molecular Structure Education and Research Center (IMSERC). We additionally thank Amy Sarjeant and Charlotte Stern for discussions regarding the crystal structures.

PY - 2012/11

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N2 - The generation of polarity in the solid state necessitates ordered, polar basic-building units (BBUs). This paper examines the evolution of ordered BBUs of 1D chains constructed of early transition metals (ETMs) and late transition metals. The cause of polar distortion orientation is illustrated with subtle alterations in the heterotypic structures of one previously reported compound (CuNbOF 5(H 2O) 2(pyz) 3) and three new hybrid materials, presented here: CuNbOF 5(H 2O) 4(pyz) 2 (1), CuVOF 5(H 2O) 4(pyz) 2 (2) and CuVOF 5(H 2O) 2(pyz) 3 (3) (pyz=pyrazine). In contrast to the [NbOF 5] 2- octahedra of CuNbOF 5(H 2O) 2(pyz) 3 and compound (1) that have oxide ligands within the 1D BBUs, the [VOF 5] 2- octahedra of compounds (2) and (3) contain disordered oxide ligands perpendicular to the chains. To create polar 1D BBUs in the solid state, one must have an understanding of how to direct distortions. We demonstrate that the choice of specific polar BBUs within a distinct environment is necessary for orientational order of the ETM anions.

AB - The generation of polarity in the solid state necessitates ordered, polar basic-building units (BBUs). This paper examines the evolution of ordered BBUs of 1D chains constructed of early transition metals (ETMs) and late transition metals. The cause of polar distortion orientation is illustrated with subtle alterations in the heterotypic structures of one previously reported compound (CuNbOF 5(H 2O) 2(pyz) 3) and three new hybrid materials, presented here: CuNbOF 5(H 2O) 4(pyz) 2 (1), CuVOF 5(H 2O) 4(pyz) 2 (2) and CuVOF 5(H 2O) 2(pyz) 3 (3) (pyz=pyrazine). In contrast to the [NbOF 5] 2- octahedra of CuNbOF 5(H 2O) 2(pyz) 3 and compound (1) that have oxide ligands within the 1D BBUs, the [VOF 5] 2- octahedra of compounds (2) and (3) contain disordered oxide ligands perpendicular to the chains. To create polar 1D BBUs in the solid state, one must have an understanding of how to direct distortions. We demonstrate that the choice of specific polar BBUs within a distinct environment is necessary for orientational order of the ETM anions.

KW - Linear chain

KW - Orientational ordering

KW - Oxyfluorides

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ER -

Orientational order of [VOF ₅] ^2- and [NbOF ₅] ^2- polar units in chains

Abstract

Funding

Keywords

ASJC Scopus subject areas

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CCDC 853534: Experimental Crystal Structure Determination

CCDC 853535: Experimental Crystal Structure Determination

CCDC 853536: Experimental Crystal Structure Determination

Cite this

Orientational order of [VOF 5] 2- and [NbOF 5] 2- polar units in chains

Abstract

Funding

Keywords

ASJC Scopus subject areas

Access to Document

Other files and links

Fingerprint

Datasets

CCDC 853534: Experimental Crystal Structure Determination

CCDC 853535: Experimental Crystal Structure Determination

CCDC 853536: Experimental Crystal Structure Determination

Cite this

Orientational order of [VOF ₅] ^2- and [NbOF ₅] ^2- polar units in chains