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Influence of π–π Stacking Interactions on the Assembly of Layered Copper Phosphonate Coordination Polymers: Combined Powder Diffraction and Electron Paramagnetic Resonance Study

M. Taddei, F. Costantino, R. Vivani, C. Sangregorio, L. Sorace, L. Castelli, Marco Taddei Orcid Logo

Crystal Growth & Design, Volume: 12, Issue: 5, Pages: 2327 - 2335

Swansea University Author: Marco Taddei Orcid Logo

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DOI (Published version): 10.1021/cg201706p

Abstract

Three new copper phosphonate coordination polymers have been obtained following very soft synthetic routes, and their structures were determined ab initio from powder X-ray diffraction data. They are based on the two building blocks α,α′-m-xylylenediphosphonic and α,α′-p-xylylenediphosphonic acid, e...

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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/cronfa32758
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fullrecord <?xml version="1.0"?><rfc1807><datestamp>2017-04-03T12:08:27.1934926</datestamp><bib-version>v2</bib-version><id>32758</id><entry>2017-03-29</entry><title>Influence of &#x3C0;&#x2013;&#x3C0; Stacking Interactions on the Assembly of Layered Copper Phosphonate Coordination Polymers: Combined Powder Diffraction and Electron Paramagnetic Resonance Study</title><swanseaauthors><author><sid>5cffd1038508554d8596dee8b4e51052</sid><ORCID>0000-0003-2805-6375</ORCID><firstname>Marco</firstname><surname>Taddei</surname><name>Marco Taddei</name><active>true</active><ethesisStudent>false</ethesisStudent></author></swanseaauthors><date>2017-03-29</date><deptcode>EEN</deptcode><abstract>Three new copper phosphonate coordination polymers have been obtained following very soft synthetic routes, and their structures were determined ab initio from powder X-ray diffraction data. They are based on the two building blocks &#x3B1;,&#x3B1;&#x2032;-m-xylylenediphosphonic and &#x3B1;,&#x3B1;&#x2032;-p-xylylenediphosphonic acid, either exclusively or combined with 4,4&#x2032;-bipyridine as an ancillary ligand. The compound obtained from &#x3B1;,&#x3B1;&#x2032;-m-xylylenediphosphonate has the formula Cu(HO3PCH2)2C6H4&#xB7;3H2O and a 2D structure of mixed organic&#x2013;inorganic layers built up by the connection of inorganic chains made of edge-sharing copper octahedra via organic bridging groups. The compound obtained from &#x3B1;,&#x3B1;&#x2032;-m-xylylenediphosphonate and 4,4&#x2032;-bipyridine as a coligand has the formula Cu[(HO3PCH2)2C6H4][N(CH)4CC(CH)4N]&#xB7;2H2O and a 2D structure based on the connection, via the diphosphonic ligand, of the linear chains resulting from the bridging of copper atoms by the bipyridine moieties. The compound obtained using &#x3B1;,&#x3B1;&#x2032;-p-xylylenediphosphonate and 4,4&#x2032;-bipyridine as a coligand has the same formula and a 2D structure closely resembling that of the previous compound. The influence of the factors driving the molecular assembly is discussed, pointing out the crucial role played by the 4,4&#x2032;-bipyridine in promoting the &#x3C0;&#x2013;&#x3C0; stacking interactions. With increasing temperatures, the compounds revealed a loss of water molecules bound to copper; in particular, heating the copper &#x3B1;,&#x3B1;&#x2032;-m-xylylenediphosphonate&#x2013;bipyridine results in a relatively stable phase with unsaturated coordination sites on the metal atoms. This behavior was confirmed by magnetic susceptibility and electron paramagnetic resonance measurements which also provided evidence for a partial reversibility of the dehydration process and of the occurrence of weak antiferromagnetic interactions between Cu(II) ions.</abstract><type>Journal Article</type><journal>Crystal Growth &amp;amp; Design</journal><volume>12</volume><journalNumber>5</journalNumber><paginationStart>2327</paginationStart><paginationEnd>2335</paginationEnd><publisher>American Chemical Society (ACS)</publisher><issnPrint>1528-7483</issnPrint><issnElectronic>1528-7505</issnElectronic><keywords/><publishedDay>2</publishedDay><publishedMonth>5</publishedMonth><publishedYear>2012</publishedYear><publishedDate>2012-05-02</publishedDate><doi>10.1021/cg201706p</doi><url/><notes/><college>COLLEGE NANME</college><department>Engineering</department><CollegeCode>COLLEGE CODE</CollegeCode><DepartmentCode>EEN</DepartmentCode><institution>Swansea University</institution><apcterm/><lastEdited>2017-04-03T12:08:27.1934926</lastEdited><Created>2017-03-29T09:52:52.0866654</Created><path><level id="1">Faculty of Science and Engineering</level><level id="2">School of Engineering and Applied Sciences - Uncategorised</level></path><authors><author><firstname>M.</firstname><surname>Taddei</surname><order>1</order></author><author><firstname>F.</firstname><surname>Costantino</surname><order>2</order></author><author><firstname>R.</firstname><surname>Vivani</surname><order>3</order></author><author><firstname>C.</firstname><surname>Sangregorio</surname><order>4</order></author><author><firstname>L.</firstname><surname>Sorace</surname><order>5</order></author><author><firstname>L.</firstname><surname>Castelli</surname><order>6</order></author><author><firstname>Marco</firstname><surname>Taddei</surname><orcid>0000-0003-2805-6375</orcid><order>7</order></author></authors><documents/><OutputDurs/></rfc1807>
spelling 2017-04-03T12:08:27.1934926 v2 32758 2017-03-29 Influence of π–π Stacking Interactions on the Assembly of Layered Copper Phosphonate Coordination Polymers: Combined Powder Diffraction and Electron Paramagnetic Resonance Study 5cffd1038508554d8596dee8b4e51052 0000-0003-2805-6375 Marco Taddei Marco Taddei true false 2017-03-29 EEN Three new copper phosphonate coordination polymers have been obtained following very soft synthetic routes, and their structures were determined ab initio from powder X-ray diffraction data. They are based on the two building blocks α,α′-m-xylylenediphosphonic and α,α′-p-xylylenediphosphonic acid, either exclusively or combined with 4,4′-bipyridine as an ancillary ligand. The compound obtained from α,α′-m-xylylenediphosphonate has the formula Cu(HO3PCH2)2C6H4·3H2O and a 2D structure of mixed organic–inorganic layers built up by the connection of inorganic chains made of edge-sharing copper octahedra via organic bridging groups. The compound obtained from α,α′-m-xylylenediphosphonate and 4,4′-bipyridine as a coligand has the formula Cu[(HO3PCH2)2C6H4][N(CH)4CC(CH)4N]·2H2O and a 2D structure based on the connection, via the diphosphonic ligand, of the linear chains resulting from the bridging of copper atoms by the bipyridine moieties. The compound obtained using α,α′-p-xylylenediphosphonate and 4,4′-bipyridine as a coligand has the same formula and a 2D structure closely resembling that of the previous compound. The influence of the factors driving the molecular assembly is discussed, pointing out the crucial role played by the 4,4′-bipyridine in promoting the π–π stacking interactions. With increasing temperatures, the compounds revealed a loss of water molecules bound to copper; in particular, heating the copper α,α′-m-xylylenediphosphonate–bipyridine results in a relatively stable phase with unsaturated coordination sites on the metal atoms. This behavior was confirmed by magnetic susceptibility and electron paramagnetic resonance measurements which also provided evidence for a partial reversibility of the dehydration process and of the occurrence of weak antiferromagnetic interactions between Cu(II) ions. Journal Article Crystal Growth &amp; Design 12 5 2327 2335 American Chemical Society (ACS) 1528-7483 1528-7505 2 5 2012 2012-05-02 10.1021/cg201706p COLLEGE NANME Engineering COLLEGE CODE EEN Swansea University 2017-04-03T12:08:27.1934926 2017-03-29T09:52:52.0866654 Faculty of Science and Engineering School of Engineering and Applied Sciences - Uncategorised M. Taddei 1 F. Costantino 2 R. Vivani 3 C. Sangregorio 4 L. Sorace 5 L. Castelli 6 Marco Taddei 0000-0003-2805-6375 7
title Influence of π–π Stacking Interactions on the Assembly of Layered Copper Phosphonate Coordination Polymers: Combined Powder Diffraction and Electron Paramagnetic Resonance Study
spellingShingle Influence of π–π Stacking Interactions on the Assembly of Layered Copper Phosphonate Coordination Polymers: Combined Powder Diffraction and Electron Paramagnetic Resonance Study
Marco Taddei
title_short Influence of π–π Stacking Interactions on the Assembly of Layered Copper Phosphonate Coordination Polymers: Combined Powder Diffraction and Electron Paramagnetic Resonance Study
title_full Influence of π–π Stacking Interactions on the Assembly of Layered Copper Phosphonate Coordination Polymers: Combined Powder Diffraction and Electron Paramagnetic Resonance Study
title_fullStr Influence of π–π Stacking Interactions on the Assembly of Layered Copper Phosphonate Coordination Polymers: Combined Powder Diffraction and Electron Paramagnetic Resonance Study
title_full_unstemmed Influence of π–π Stacking Interactions on the Assembly of Layered Copper Phosphonate Coordination Polymers: Combined Powder Diffraction and Electron Paramagnetic Resonance Study
title_sort Influence of π–π Stacking Interactions on the Assembly of Layered Copper Phosphonate Coordination Polymers: Combined Powder Diffraction and Electron Paramagnetic Resonance Study
author_id_str_mv 5cffd1038508554d8596dee8b4e51052
author_id_fullname_str_mv 5cffd1038508554d8596dee8b4e51052_***_Marco Taddei
author Marco Taddei
author2 M. Taddei
F. Costantino
R. Vivani
C. Sangregorio
L. Sorace
L. Castelli
Marco Taddei
format Journal article
container_title Crystal Growth &amp; Design
container_volume 12
container_issue 5
container_start_page 2327
publishDate 2012
institution Swansea University
issn 1528-7483
1528-7505
doi_str_mv 10.1021/cg201706p
publisher American Chemical Society (ACS)
college_str Faculty of Science and Engineering
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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
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description Three new copper phosphonate coordination polymers have been obtained following very soft synthetic routes, and their structures were determined ab initio from powder X-ray diffraction data. They are based on the two building blocks α,α′-m-xylylenediphosphonic and α,α′-p-xylylenediphosphonic acid, either exclusively or combined with 4,4′-bipyridine as an ancillary ligand. The compound obtained from α,α′-m-xylylenediphosphonate has the formula Cu(HO3PCH2)2C6H4·3H2O and a 2D structure of mixed organic–inorganic layers built up by the connection of inorganic chains made of edge-sharing copper octahedra via organic bridging groups. The compound obtained from α,α′-m-xylylenediphosphonate and 4,4′-bipyridine as a coligand has the formula Cu[(HO3PCH2)2C6H4][N(CH)4CC(CH)4N]·2H2O and a 2D structure based on the connection, via the diphosphonic ligand, of the linear chains resulting from the bridging of copper atoms by the bipyridine moieties. The compound obtained using α,α′-p-xylylenediphosphonate and 4,4′-bipyridine as a coligand has the same formula and a 2D structure closely resembling that of the previous compound. The influence of the factors driving the molecular assembly is discussed, pointing out the crucial role played by the 4,4′-bipyridine in promoting the π–π stacking interactions. With increasing temperatures, the compounds revealed a loss of water molecules bound to copper; in particular, heating the copper α,α′-m-xylylenediphosphonate–bipyridine results in a relatively stable phase with unsaturated coordination sites on the metal atoms. This behavior was confirmed by magnetic susceptibility and electron paramagnetic resonance measurements which also provided evidence for a partial reversibility of the dehydration process and of the occurrence of weak antiferromagnetic interactions between Cu(II) ions.
published_date 2012-05-02T03:40:15Z
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score 11.013148

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