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Multitechnique Experimental Insight on an Unusual Crystal-to-Crystal High Temperature Solid State Reaction in Zirconium Carboxypyridinephosphonates: From One-Dimensional Chains to Two-Dimensional Hybrid Layers Through HF Eliminati...

F. Costantino, P. Sassi, M. Geppi, M. Taddei, Marco Taddei Orcid Logo

Crystal Growth & Design, Volume: 12, Issue: 11, Pages: 5462 - 5470

Swansea University Author: Marco Taddei Orcid Logo

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DOI (Published version): 10.1021/cg301042y

Abstract

Two novel N-phosphonoethylcarboxypyridines were prepared via nucleophilic substitution of two carboxypyridines (namely, 4-carboxypyridine, or isonicotinic acid, and 3-carboxypyridine, or nicotinic acid) with diethyl-2-bromoethylphosphonate in water. Two zirconium derivatives of these acids were obta...

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Published in: Crystal Growth & Design
ISSN: 1528-7483 1528-7505
Published: American Chemical Society (ACS) 2012
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URI: https://cronfa.swan.ac.uk/Record/cronfa32757
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spelling 2017-04-03T12:09:43.5407089 v2 32757 2017-03-29 Multitechnique Experimental Insight on an Unusual Crystal-to-Crystal High Temperature Solid State Reaction in Zirconium Carboxypyridinephosphonates: From One-Dimensional Chains to Two-Dimensional Hybrid Layers Through HF Elimination 5cffd1038508554d8596dee8b4e51052 0000-0003-2805-6375 Marco Taddei Marco Taddei true false 2017-03-29 EEN Two novel N-phosphonoethylcarboxypyridines were prepared via nucleophilic substitution of two carboxypyridines (namely, 4-carboxypyridine, or isonicotinic acid, and 3-carboxypyridine, or nicotinic acid) with diethyl-2-bromoethylphosphonate in water. Two zirconium derivatives of these acids were obtained under mild solvothermal conditions, and their structures were solved from powder X-ray diffraction (PXRD) data. The zirconium derivative containing the isonicotinic moiety (1), with formula ZrF2(HF)(O3PCH2CH2NC5H4CO2), has a one-dimensional (1D) chain structure in which the carboxypyridine groups are placed in the external part of the inorganic chain constituted of zirconium octahedra and phosphonic tetrahedra, whereas the zirconium derivative containing the nicotinic moiety (2), with formula ZrF2(O3PCH2CH2NC5H4CO2), has a hybrid layered structure in which zirconium octhaedra and phosphorus tetrahedra form a new structural archetype, with a C–O group coordinating the zirconium atoms. 1 underwent a high temperature (280 °C) slow solid state transformation that involved the loss of one HF molecule coordinated to the zirconium atom and the replacement of this coordination vacancy with the neighboring C–O– group belonging to the adjacent chain. The structure of this heated compound (1a) is a polymorph of 2. A multitechnique approach, based on coupled Fourier transform infrared spectroscopy and Raman and solid state NMR spectroscopy allowed us to carry out a thorough characterization of these materials, finding nice agreements on the chemical details of this solid state reaction. Journal Article Crystal Growth &amp; Design 12 11 5462 5470 American Chemical Society (ACS) 1528-7483 1528-7505 7 11 2012 2012-11-07 10.1021/cg301042y COLLEGE NANME Engineering COLLEGE CODE EEN Swansea University 2017-04-03T12:09:43.5407089 2017-03-29T09:52:50.7450373 Faculty of Science and Engineering School of Engineering and Applied Sciences - Uncategorised F. Costantino 1 P. Sassi 2 M. Geppi 3 M. Taddei 4 Marco Taddei 0000-0003-2805-6375 5
title Multitechnique Experimental Insight on an Unusual Crystal-to-Crystal High Temperature Solid State Reaction in Zirconium Carboxypyridinephosphonates: From One-Dimensional Chains to Two-Dimensional Hybrid Layers Through HF Elimination
spellingShingle Multitechnique Experimental Insight on an Unusual Crystal-to-Crystal High Temperature Solid State Reaction in Zirconium Carboxypyridinephosphonates: From One-Dimensional Chains to Two-Dimensional Hybrid Layers Through HF Elimination
Marco Taddei
title_short Multitechnique Experimental Insight on an Unusual Crystal-to-Crystal High Temperature Solid State Reaction in Zirconium Carboxypyridinephosphonates: From One-Dimensional Chains to Two-Dimensional Hybrid Layers Through HF Elimination
title_full Multitechnique Experimental Insight on an Unusual Crystal-to-Crystal High Temperature Solid State Reaction in Zirconium Carboxypyridinephosphonates: From One-Dimensional Chains to Two-Dimensional Hybrid Layers Through HF Elimination
title_fullStr Multitechnique Experimental Insight on an Unusual Crystal-to-Crystal High Temperature Solid State Reaction in Zirconium Carboxypyridinephosphonates: From One-Dimensional Chains to Two-Dimensional Hybrid Layers Through HF Elimination
title_full_unstemmed Multitechnique Experimental Insight on an Unusual Crystal-to-Crystal High Temperature Solid State Reaction in Zirconium Carboxypyridinephosphonates: From One-Dimensional Chains to Two-Dimensional Hybrid Layers Through HF Elimination
title_sort Multitechnique Experimental Insight on an Unusual Crystal-to-Crystal High Temperature Solid State Reaction in Zirconium Carboxypyridinephosphonates: From One-Dimensional Chains to Two-Dimensional Hybrid Layers Through HF Elimination
author_id_str_mv 5cffd1038508554d8596dee8b4e51052
author_id_fullname_str_mv 5cffd1038508554d8596dee8b4e51052_***_Marco Taddei
author Marco Taddei
author2 F. Costantino
P. Sassi
M. Geppi
M. Taddei
Marco Taddei
format Journal article
container_title Crystal Growth &amp; Design
container_volume 12
container_issue 11
container_start_page 5462
publishDate 2012
institution Swansea University
issn 1528-7483
1528-7505
doi_str_mv 10.1021/cg301042y
publisher American Chemical Society (ACS)
college_str Faculty of Science and Engineering
hierarchytype
hierarchy_top_id facultyofscienceandengineering
hierarchy_top_title Faculty of Science and Engineering
hierarchy_parent_id facultyofscienceandengineering
hierarchy_parent_title Faculty of Science and Engineering
department_str School of Engineering and Applied Sciences - Uncategorised{{{_:::_}}}Faculty of Science and Engineering{{{_:::_}}}School of Engineering and Applied Sciences - Uncategorised
document_store_str 0
active_str 0
description Two novel N-phosphonoethylcarboxypyridines were prepared via nucleophilic substitution of two carboxypyridines (namely, 4-carboxypyridine, or isonicotinic acid, and 3-carboxypyridine, or nicotinic acid) with diethyl-2-bromoethylphosphonate in water. Two zirconium derivatives of these acids were obtained under mild solvothermal conditions, and their structures were solved from powder X-ray diffraction (PXRD) data. The zirconium derivative containing the isonicotinic moiety (1), with formula ZrF2(HF)(O3PCH2CH2NC5H4CO2), has a one-dimensional (1D) chain structure in which the carboxypyridine groups are placed in the external part of the inorganic chain constituted of zirconium octahedra and phosphonic tetrahedra, whereas the zirconium derivative containing the nicotinic moiety (2), with formula ZrF2(O3PCH2CH2NC5H4CO2), has a hybrid layered structure in which zirconium octhaedra and phosphorus tetrahedra form a new structural archetype, with a C–O group coordinating the zirconium atoms. 1 underwent a high temperature (280 °C) slow solid state transformation that involved the loss of one HF molecule coordinated to the zirconium atom and the replacement of this coordination vacancy with the neighboring C–O– group belonging to the adjacent chain. The structure of this heated compound (1a) is a polymorph of 2. A multitechnique approach, based on coupled Fourier transform infrared spectroscopy and Raman and solid state NMR spectroscopy allowed us to carry out a thorough characterization of these materials, finding nice agreements on the chemical details of this solid state reaction.
published_date 2012-11-07T03:40:15Z
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score 11.036706

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