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Synthesis and Crystal Structure from X-ray Powder Diffraction Data of Two Zirconium Diphosphonates Containing Piperazine Groups

M. Taddei, F. Costantino, R. Vivani, Marco Taddei Orcid Logo

Inorganic Chemistry, Volume: 49, Issue: 20, Pages: 9664 - 9670

Swansea University Author: Marco Taddei Orcid Logo

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DOI (Published version): 10.1021/ic1014048

Abstract

Two new zirconium aminophosphonates have been obtained by reaction of Zr(IV) with piperazine-N,N′-bis(methylenephosphonate) building blocks. Their crystal structure has been determined ab initio from X-ray powder diffraction data collected with a conventional diffractometer. Although prepared in sim...

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Published in: Inorganic Chemistry
ISSN: 0020-1669 1520-510X
Published: American Chemical Society (ACS) 2010
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URI: https://cronfa.swan.ac.uk/Record/cronfa32763
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fullrecord <?xml version="1.0"?><rfc1807><datestamp>2017-04-03T12:11:38.2175515</datestamp><bib-version>v2</bib-version><id>32763</id><entry>2017-03-29</entry><title>Synthesis and Crystal Structure from X-ray Powder Diffraction Data of Two Zirconium Diphosphonates Containing Piperazine Groups</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>Two new zirconium aminophosphonates have been obtained by reaction of Zr(IV) with piperazine-N,N&#x2032;-bis(methylenephosphonate) building blocks. Their crystal structure has been determined ab initio from X-ray powder diffraction data collected with a conventional diffractometer. Although prepared in similar conditions, their composition and crystal structure is markedly different. Compound 1, of formula Zr2H4[(O3PCH2)2N2C4H8]3&#xB7;9H2O, has a three-dimensional structure (trigonal, space group R3&#x305;&#x305; (No. 148), a = 19.9400(9) &#xC5;, c = 9.5728(6) &#xC5;, Z = 3), made of infinite inorganic chains of ZrO6 octahedra and PO3C tetrahedra, running along the c-axis direction, connected by piperazine groups in the ab plane, and generating channels running along the c axis. Compound 2, of formula ZrF2(O3PCH2)2(NH)2C4H8, has a pillared-layered structure (monoclinic, space group P21/c (No. 14), a = 8.7148(2) &#xC5;, b = 8.1731(1) &#xC5;, c = 9.0134(2) &#xC5;, &#x3B2; = 105.175(1)&#xB0; Z = 2) in which inorganic layers, made of the connectivity of Zr octahedra and P tetrahedra, are covalently connected by piperazine groups, that act as pillars. The effect of the various synthesis parameters is discussed. A probable structure directing parameter seems to be the pH value of the starting precipitation solution, that can influence the protonation of N atoms of piperazine moiety.</abstract><type>Journal Article</type><journal>Inorganic Chemistry</journal><volume>49</volume><journalNumber>20</journalNumber><paginationStart>9664</paginationStart><paginationEnd>9670</paginationEnd><publisher>American Chemical Society (ACS)</publisher><issnPrint>0020-1669</issnPrint><issnElectronic>1520-510X</issnElectronic><keywords/><publishedDay>31</publishedDay><publishedMonth>10</publishedMonth><publishedYear>2010</publishedYear><publishedDate>2010-10-31</publishedDate><doi>10.1021/ic1014048</doi><url/><notes/><college>COLLEGE NANME</college><department>Engineering</department><CollegeCode>COLLEGE CODE</CollegeCode><DepartmentCode>EEN</DepartmentCode><institution>Swansea University</institution><apcterm/><lastEdited>2017-04-03T12:11:38.2175515</lastEdited><Created>2017-03-29T09:52:55.4251016</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>Marco</firstname><surname>Taddei</surname><orcid>0000-0003-2805-6375</orcid><order>4</order></author></authors><documents/><OutputDurs/></rfc1807>
spelling 2017-04-03T12:11:38.2175515 v2 32763 2017-03-29 Synthesis and Crystal Structure from X-ray Powder Diffraction Data of Two Zirconium Diphosphonates Containing Piperazine Groups 5cffd1038508554d8596dee8b4e51052 0000-0003-2805-6375 Marco Taddei Marco Taddei true false 2017-03-29 EEN Two new zirconium aminophosphonates have been obtained by reaction of Zr(IV) with piperazine-N,N′-bis(methylenephosphonate) building blocks. Their crystal structure has been determined ab initio from X-ray powder diffraction data collected with a conventional diffractometer. Although prepared in similar conditions, their composition and crystal structure is markedly different. Compound 1, of formula Zr2H4[(O3PCH2)2N2C4H8]3·9H2O, has a three-dimensional structure (trigonal, space group R3̅̅ (No. 148), a = 19.9400(9) Å, c = 9.5728(6) Å, Z = 3), made of infinite inorganic chains of ZrO6 octahedra and PO3C tetrahedra, running along the c-axis direction, connected by piperazine groups in the ab plane, and generating channels running along the c axis. Compound 2, of formula ZrF2(O3PCH2)2(NH)2C4H8, has a pillared-layered structure (monoclinic, space group P21/c (No. 14), a = 8.7148(2) Å, b = 8.1731(1) Å, c = 9.0134(2) Å, β = 105.175(1)° Z = 2) in which inorganic layers, made of the connectivity of Zr octahedra and P tetrahedra, are covalently connected by piperazine groups, that act as pillars. The effect of the various synthesis parameters is discussed. A probable structure directing parameter seems to be the pH value of the starting precipitation solution, that can influence the protonation of N atoms of piperazine moiety. Journal Article Inorganic Chemistry 49 20 9664 9670 American Chemical Society (ACS) 0020-1669 1520-510X 31 10 2010 2010-10-31 10.1021/ic1014048 COLLEGE NANME Engineering COLLEGE CODE EEN Swansea University 2017-04-03T12:11:38.2175515 2017-03-29T09:52:55.4251016 Faculty of Science and Engineering School of Engineering and Applied Sciences - Uncategorised M. Taddei 1 F. Costantino 2 R. Vivani 3 Marco Taddei 0000-0003-2805-6375 4
title Synthesis and Crystal Structure from X-ray Powder Diffraction Data of Two Zirconium Diphosphonates Containing Piperazine Groups
spellingShingle Synthesis and Crystal Structure from X-ray Powder Diffraction Data of Two Zirconium Diphosphonates Containing Piperazine Groups
Marco Taddei
title_short Synthesis and Crystal Structure from X-ray Powder Diffraction Data of Two Zirconium Diphosphonates Containing Piperazine Groups
title_full Synthesis and Crystal Structure from X-ray Powder Diffraction Data of Two Zirconium Diphosphonates Containing Piperazine Groups
title_fullStr Synthesis and Crystal Structure from X-ray Powder Diffraction Data of Two Zirconium Diphosphonates Containing Piperazine Groups
title_full_unstemmed Synthesis and Crystal Structure from X-ray Powder Diffraction Data of Two Zirconium Diphosphonates Containing Piperazine Groups
title_sort Synthesis and Crystal Structure from X-ray Powder Diffraction Data of Two Zirconium Diphosphonates Containing Piperazine Groups
author_id_str_mv 5cffd1038508554d8596dee8b4e51052
author_id_fullname_str_mv 5cffd1038508554d8596dee8b4e51052_***_Marco Taddei
author Marco Taddei
author2 M. Taddei
F. Costantino
R. Vivani
Marco Taddei
format Journal article
container_title Inorganic Chemistry
container_volume 49
container_issue 20
container_start_page 9664
publishDate 2010
institution Swansea University
issn 0020-1669
1520-510X
doi_str_mv 10.1021/ic1014048
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 new zirconium aminophosphonates have been obtained by reaction of Zr(IV) with piperazine-N,N′-bis(methylenephosphonate) building blocks. Their crystal structure has been determined ab initio from X-ray powder diffraction data collected with a conventional diffractometer. Although prepared in similar conditions, their composition and crystal structure is markedly different. Compound 1, of formula Zr2H4[(O3PCH2)2N2C4H8]3·9H2O, has a three-dimensional structure (trigonal, space group R3̅̅ (No. 148), a = 19.9400(9) Å, c = 9.5728(6) Å, Z = 3), made of infinite inorganic chains of ZrO6 octahedra and PO3C tetrahedra, running along the c-axis direction, connected by piperazine groups in the ab plane, and generating channels running along the c axis. Compound 2, of formula ZrF2(O3PCH2)2(NH)2C4H8, has a pillared-layered structure (monoclinic, space group P21/c (No. 14), a = 8.7148(2) Å, b = 8.1731(1) Å, c = 9.0134(2) Å, β = 105.175(1)° Z = 2) in which inorganic layers, made of the connectivity of Zr octahedra and P tetrahedra, are covalently connected by piperazine groups, that act as pillars. The effect of the various synthesis parameters is discussed. A probable structure directing parameter seems to be the pH value of the starting precipitation solution, that can influence the protonation of N atoms of piperazine moiety.
published_date 2010-10-31T03:40:16Z
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score 11.013395

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