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Title: Probing Structural Changes in a Phosphonate-based Metal-Organic Framework Exhibiting Reversible Dehydration

Abstract

A one-step hydrothermal synthesis with small amines and 1,3,5-benzenetriphosphonic acid was used to prepare single crystals of isostructural anionic metal–organic frameworks (MOF): Zn2.5(H)0.4–0.5(C6H3O9P3)(H2O)1.9–2(NH4)0.5–0.6 and Zn2.5(H)0.75(C6H3O9P3)(H2O)2(CH3NH3)0.25. The ammonium ions are exchangeable with lithium ions. The MOF exhibits reversible dehydration, and the process was studied by two complementary methods: solid state NMR and in situ X-ray diffraction. These experiments revealed three different phases. The crystal structures of all phases have been determined, showing loss in volume of the structure due to a phase change. The ammonium ions remain in the structure and are forced to occupy the larger pores due to a reduction in free volume. The change in positions of the guest molecules in the framework has an effect on the potential conductivity properties of the materials. Changes in framework and guest molecules due to negative expansion have an effect on other physical and chemical properties and need to be explored.

Authors:
; ; ; ; ;  [1]
  1. Wroclaw
Publication Date:
Research Org.:
Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS)
Sponsoring Org.:
OTHER
OSTI Identifier:
1087739
Resource Type:
Journal Article
Journal Name:
Crystal Growth and Design
Additional Journal Information:
Journal Volume: 13; Journal Issue: (7) ; 07, 2013; Journal ID: ISSN 1528-7483
Publisher:
American Chemical Society
Country of Publication:
United States
Language:
ENGLISH

Citation Formats

Kinnibrugh, Tiffany L., Ayi, Ayi A., Bakhmutov, Vladimir I., Zo,, #324, Jerzy,, Clearfield, Abraham, Calabar), and TAM). Probing Structural Changes in a Phosphonate-based Metal-Organic Framework Exhibiting Reversible Dehydration. United States: N. p., 2013. Web. doi:10.1021/cg400399v.
Kinnibrugh, Tiffany L., Ayi, Ayi A., Bakhmutov, Vladimir I., Zo,, #324, Jerzy,, Clearfield, Abraham, Calabar), & TAM). Probing Structural Changes in a Phosphonate-based Metal-Organic Framework Exhibiting Reversible Dehydration. United States. https://doi.org/10.1021/cg400399v
Kinnibrugh, Tiffany L., Ayi, Ayi A., Bakhmutov, Vladimir I., Zo,, #324, Jerzy,, Clearfield, Abraham, Calabar), and TAM). 2013. "Probing Structural Changes in a Phosphonate-based Metal-Organic Framework Exhibiting Reversible Dehydration". United States. https://doi.org/10.1021/cg400399v.
@article{osti_1087739,
title = {Probing Structural Changes in a Phosphonate-based Metal-Organic Framework Exhibiting Reversible Dehydration},
author = {Kinnibrugh, Tiffany L. and Ayi, Ayi A. and Bakhmutov, Vladimir I. and Zo, and #324 and Jerzy, and Clearfield, Abraham and Calabar) and TAM)},
abstractNote = {A one-step hydrothermal synthesis with small amines and 1,3,5-benzenetriphosphonic acid was used to prepare single crystals of isostructural anionic metal–organic frameworks (MOF): Zn2.5(H)0.4–0.5(C6H3O9P3)(H2O)1.9–2(NH4)0.5–0.6 and Zn2.5(H)0.75(C6H3O9P3)(H2O)2(CH3NH3)0.25. The ammonium ions are exchangeable with lithium ions. The MOF exhibits reversible dehydration, and the process was studied by two complementary methods: solid state NMR and in situ X-ray diffraction. These experiments revealed three different phases. The crystal structures of all phases have been determined, showing loss in volume of the structure due to a phase change. The ammonium ions remain in the structure and are forced to occupy the larger pores due to a reduction in free volume. The change in positions of the guest molecules in the framework has an effect on the potential conductivity properties of the materials. Changes in framework and guest molecules due to negative expansion have an effect on other physical and chemical properties and need to be explored.},
doi = {10.1021/cg400399v},
url = {https://www.osti.gov/biblio/1087739}, journal = {Crystal Growth and Design},
issn = {1528-7483},
number = (7) ; 07, 2013,
volume = 13,
place = {United States},
year = {Fri Aug 02 00:00:00 EDT 2013},
month = {Fri Aug 02 00:00:00 EDT 2013}
}