<?xml version="1.0" encoding="utf-8"?>
<TEI xmlns="http://www.tei-c.org/ns/1.0" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xmlns:hal="http://hal.archives-ouvertes.fr/" xmlns:gml="http://www.opengis.net/gml/3.3/" xmlns:gmlce="http://www.opengis.net/gml/3.3/ce" version="1.1" xsi:schemaLocation="http://www.tei-c.org/ns/1.0 http://api.archives-ouvertes.fr/documents/aofr-sword.xsd">
  <teiHeader>
    <fileDesc>
      <titleStmt>
        <title>HAL TEI export of hal-04932296</title>
      </titleStmt>
      <publicationStmt>
        <distributor>CCSD</distributor>
        <availability status="restricted">
          <licence target="https://creativecommons.org/publicdomain/zero/1.0/">CC0 1.0 - Universal</licence>
        </availability>
        <date when="2026-05-02T05:30:46+02:00"/>
      </publicationStmt>
      <sourceDesc>
        <p part="N">HAL API Platform</p>
      </sourceDesc>
    </fileDesc>
  </teiHeader>
  <text>
    <body>
      <listBibl>
        <biblFull>
          <titleStmt>
            <title xml:lang="en">Zirconium-mediated carbon–fluorine bond functionalisation through cyclohexyne “umpolung”</title>
            <author role="aut">
              <persName>
                <forename type="first">Sara</forename>
                <surname>Bonfante</surname>
              </persName>
              <idno type="idhal" notation="numeric">1502975</idno>
              <idno type="halauthorid" notation="string">2940968-1502975</idno>
              <idno type="ORCID">https://orcid.org/0009-0005-9447-4075</idno>
              <affiliation ref="#struct-1612758"/>
              <affiliation ref="#struct-547096"/>
            </author>
            <author role="aut">
              <persName>
                <forename type="first">Theo</forename>
                <forename type="middle">F N</forename>
                <surname>Tanner</surname>
              </persName>
              <idno type="halauthorid">3403702-0</idno>
              <affiliation ref="#struct-547096"/>
            </author>
            <author role="crp">
              <persName>
                <forename type="first">Christian</forename>
                <surname>Lorber</surname>
              </persName>
              <email type="md5">60497d9dde87e87fae9a27bc847d871e</email>
              <email type="domain">lcc-toulouse.fr</email>
              <idno type="idhal" notation="string">christian-lorber</idno>
              <idno type="idhal" notation="numeric">744211</idno>
              <idno type="halauthorid" notation="string">46634-744211</idno>
              <idno type="ORCID">https://orcid.org/0000-0003-1361-5373</idno>
              <idno type="IDREF">https://www.idref.fr/174953445</idno>
              <affiliation ref="#struct-1612758"/>
            </author>
            <author role="crp">
              <persName>
                <forename type="first">Jason</forename>
                <forename type="middle">M</forename>
                <surname>Lynam</surname>
              </persName>
              <email type="md5">eb88469caa210ab9e15f3b945da1dd0f</email>
              <email type="domain">york.ac.uk</email>
              <idno type="idhal" notation="numeric">1302871</idno>
              <idno type="halauthorid" notation="string">2940969-1302871</idno>
              <idno type="ORCID">https://orcid.org/0000-0003-0103-9479</idno>
              <affiliation ref="#struct-547096"/>
            </author>
            <author role="crp">
              <persName>
                <forename type="first">Antoine</forename>
                <surname>Simonneau</surname>
              </persName>
              <email type="md5">decc8c3cfdfd63326699b645a1a12c87</email>
              <email type="domain">lcc-toulouse.fr</email>
              <idno type="idhal" notation="string">antoine-simonneau</idno>
              <idno type="idhal" notation="numeric">180427</idno>
              <idno type="halauthorid" notation="string">29854-180427</idno>
              <idno type="RESEARCHERID">http://www.researcherid.com/rid/A-7296-2016</idno>
              <idno type="ORCID">https://orcid.org/0000-0003-4612-284X</idno>
              <idno type="RESEARCHERID">http://www.researcherid.com/rid/http://www.researcherid.com/rid/A-7296-2016</idno>
              <affiliation ref="#struct-441569"/>
            </author>
            <author role="crp">
              <persName>
                <forename type="first">John</forename>
                <forename type="middle">M</forename>
                <surname>Slattery</surname>
              </persName>
              <email type="md5">2e8ee688024c6d59c41c7bedaac23e75</email>
              <email type="domain">york.ac.uk</email>
              <idno type="idhal" notation="numeric">1302872</idno>
              <idno type="halauthorid" notation="string">2940970-1302872</idno>
              <idno type="ORCID">https://orcid.org/0000-0001-6491-8302</idno>
              <affiliation ref="#struct-61650"/>
            </author>
            <editor role="depositor">
              <persName>
                <forename>Marie-Hélène</forename>
                <surname>Gulli</surname>
              </persName>
              <email type="md5">3cb87f89132640b4fa8a819ffd202dda</email>
              <email type="domain">lcc-toulouse.fr</email>
            </editor>
            <funder ref="#projeurop-712995"/>
          </titleStmt>
          <editionStmt>
            <edition n="v1" type="current">
              <date type="whenSubmitted">2025-02-06 11:37:19</date>
              <date type="whenModified">2026-04-02 03:00:59</date>
              <date type="whenReleased">2025-02-06 13:47:31</date>
              <date type="whenProduced">2025</date>
              <date type="whenEndEmbargoed">2025-02-06</date>
              <ref type="file" target="https://hal.science/hal-04932296v1/document">
                <date notBefore="2025-02-06"/>
              </ref>
              <ref type="file" subtype="greenPublisher" n="1" target="https://hal.science/hal-04932296v1/file/Bonfante%2C%20Zirconium-mediated%20carbon%E2%80%93fluorine%2C%202025.pdf" id="file-4932296-4280602">
                <date notBefore="2025-02-06"/>
              </ref>
            </edition>
            <respStmt>
              <resp>contributor</resp>
              <name key="194368">
                <persName>
                  <forename>Marie-Hélène</forename>
                  <surname>Gulli</surname>
                </persName>
                <email type="md5">3cb87f89132640b4fa8a819ffd202dda</email>
                <email type="domain">lcc-toulouse.fr</email>
              </name>
            </respStmt>
          </editionStmt>
          <publicationStmt>
            <distributor>CCSD</distributor>
            <idno type="halId">hal-04932296</idno>
            <idno type="halUri">https://hal.science/hal-04932296</idno>
            <idno type="halBibtex">bonfante:hal-04932296</idno>
            <idno type="halRefHtml">&lt;i&gt;Chemical Science&lt;/i&gt;, 2025, 16 (8), pp.3552-3559. &lt;a target="_blank" href="https://dx.doi.org/10.1039/d4sc08522a"&gt;&amp;#x27E8;10.1039/d4sc08522a&amp;#x27E9;&lt;/a&gt;</idno>
            <idno type="halRef">Chemical Science, 2025, 16 (8), pp.3552-3559. &amp;#x27E8;10.1039/d4sc08522a&amp;#x27E9;</idno>
            <availability status="restricted">
              <licence target="https://creativecommons.org/licenses/by/4.0/">CC BY 4.0 - Attribution<ref corresp="#file-4932296-4280602"/></licence>
            </availability>
          </publicationStmt>
          <seriesStmt>
            <idno type="stamp" n="IRD">IRD - Institut de recherche pour le développement</idno>
            <idno type="stamp" n="UNIV-TLSE3">Université de Toulouse</idno>
            <idno type="stamp" n="CNRS">CNRS - Centre national de la recherche scientifique</idno>
            <idno type="stamp" n="OPENAIRE">OpenAIRE</idno>
            <idno type="stamp" n="LCC">Laboratoire de Chimie de Coordination UPR8241</idno>
            <idno type="stamp" n="INC-CNRS">Institut de Chimie du CNRS</idno>
            <idno type="stamp" n="TOULOUSE-INP">Toulouse - INP</idno>
            <idno type="stamp" n="UNIV-UT3">Université Toulouse 3</idno>
            <idno type="stamp" n="UT3-INP">Université de Toulouse / Toulouse INP</idno>
            <idno type="stamp" n="UT3-TOULOUSEINP">Université de Toulouse / Toulouse INP</idno>
            <idno type="stamp" n="ICT-CHIMIE">ICT-CHIMIE </idno>
            <idno type="stamp" n="LINKED_RESEARCH_OUTPUTS">Publications linked to dataset and software</idno>
          </seriesStmt>
          <notesStmt>
            <note type="audience" n="2">International</note>
            <note type="popular" n="0">No</note>
            <note type="peer" n="1">Yes</note>
          </notesStmt>
          <sourceDesc>
            <biblStruct>
              <analytic>
                <title xml:lang="en">Zirconium-mediated carbon–fluorine bond functionalisation through cyclohexyne “umpolung”</title>
                <author role="aut">
                  <persName>
                    <forename type="first">Sara</forename>
                    <surname>Bonfante</surname>
                  </persName>
                  <idno type="idhal" notation="numeric">1502975</idno>
                  <idno type="halauthorid" notation="string">2940968-1502975</idno>
                  <idno type="ORCID">https://orcid.org/0009-0005-9447-4075</idno>
                  <affiliation ref="#struct-1612758"/>
                  <affiliation ref="#struct-547096"/>
                </author>
                <author role="aut">
                  <persName>
                    <forename type="first">Theo</forename>
                    <forename type="middle">F N</forename>
                    <surname>Tanner</surname>
                  </persName>
                  <idno type="halauthorid">3403702-0</idno>
                  <affiliation ref="#struct-547096"/>
                </author>
                <author role="crp">
                  <persName>
                    <forename type="first">Christian</forename>
                    <surname>Lorber</surname>
                  </persName>
                  <email type="md5">60497d9dde87e87fae9a27bc847d871e</email>
                  <email type="domain">lcc-toulouse.fr</email>
                  <idno type="idhal" notation="string">christian-lorber</idno>
                  <idno type="idhal" notation="numeric">744211</idno>
                  <idno type="halauthorid" notation="string">46634-744211</idno>
                  <idno type="ORCID">https://orcid.org/0000-0003-1361-5373</idno>
                  <idno type="IDREF">https://www.idref.fr/174953445</idno>
                  <affiliation ref="#struct-1612758"/>
                </author>
                <author role="crp">
                  <persName>
                    <forename type="first">Jason</forename>
                    <forename type="middle">M</forename>
                    <surname>Lynam</surname>
                  </persName>
                  <email type="md5">eb88469caa210ab9e15f3b945da1dd0f</email>
                  <email type="domain">york.ac.uk</email>
                  <idno type="idhal" notation="numeric">1302871</idno>
                  <idno type="halauthorid" notation="string">2940969-1302871</idno>
                  <idno type="ORCID">https://orcid.org/0000-0003-0103-9479</idno>
                  <affiliation ref="#struct-547096"/>
                </author>
                <author role="crp">
                  <persName>
                    <forename type="first">Antoine</forename>
                    <surname>Simonneau</surname>
                  </persName>
                  <email type="md5">decc8c3cfdfd63326699b645a1a12c87</email>
                  <email type="domain">lcc-toulouse.fr</email>
                  <idno type="idhal" notation="string">antoine-simonneau</idno>
                  <idno type="idhal" notation="numeric">180427</idno>
                  <idno type="halauthorid" notation="string">29854-180427</idno>
                  <idno type="RESEARCHERID">http://www.researcherid.com/rid/A-7296-2016</idno>
                  <idno type="ORCID">https://orcid.org/0000-0003-4612-284X</idno>
                  <idno type="RESEARCHERID">http://www.researcherid.com/rid/http://www.researcherid.com/rid/A-7296-2016</idno>
                  <affiliation ref="#struct-441569"/>
                </author>
                <author role="crp">
                  <persName>
                    <forename type="first">John</forename>
                    <forename type="middle">M</forename>
                    <surname>Slattery</surname>
                  </persName>
                  <email type="md5">2e8ee688024c6d59c41c7bedaac23e75</email>
                  <email type="domain">york.ac.uk</email>
                  <idno type="idhal" notation="numeric">1302872</idno>
                  <idno type="halauthorid" notation="string">2940970-1302872</idno>
                  <idno type="ORCID">https://orcid.org/0000-0001-6491-8302</idno>
                  <affiliation ref="#struct-61650"/>
                </author>
              </analytic>
              <monogr>
                <idno type="halJournalId" status="VALID">38571</idno>
                <idno type="issn">2041-6520</idno>
                <idno type="eissn">2041-6539</idno>
                <title level="j">Chemical Science</title>
                <imprint>
                  <publisher>The Royal Society of Chemistry</publisher>
                  <biblScope unit="volume">16</biblScope>
                  <biblScope unit="issue">8</biblScope>
                  <biblScope unit="pp">3552-3559</biblScope>
                  <date type="datePub">2025</date>
                </imprint>
              </monogr>
              <idno type="doi">10.1039/d4sc08522a</idno>
              <relatedItem target="https://doi.org/10.57745/VGHSZN" type="Cites" subtype="http://purl.org/coar/resource_type/c_ddb1"/>
            </biblStruct>
          </sourceDesc>
          <profileDesc>
            <langUsage>
              <language ident="en">English</language>
            </langUsage>
            <textClass>
              <classCode scheme="halDomain" n="chim.coor">Chemical Sciences/Coordination chemistry</classCode>
              <classCode scheme="halTypology" n="ART">Journal articles</classCode>
              <classCode scheme="halOldTypology" n="ART">Journal articles</classCode>
              <classCode scheme="halTreeTypology" n="ART">Journal articles</classCode>
            </textClass>
            <abstract xml:lang="en">
              <p>Polarity reversal, or “umpolung”, is a widely acknowledged strategy to allow organic functional groups amenable to react in alternative ways to the usual preference set by their electronic features. In this article, we demonstrate that cyclohexyne umpolung, realized through complexation to zirconocene, makes the small strained cycloalkyne amenable to C–F bond functionalisation. Such strong bond activation chemistry is unprecedented in “free” aryne and strained alkyne chemistry. Our study also reveals that the reactivity of the Zr–cyclohexyne complex is highly sensitive to the degree of fluorination of the heteroarene. In addition, parasitic reactions of the ancillary ligand PMe3 were observed when pentafluoropyridine was the substrate.</p>
            </abstract>
          </profileDesc>
        </biblFull>
      </listBibl>
    </body>
    <back>
      <listOrg type="structures">
        <org type="laboratory" xml:id="struct-1612758" status="VALID">
          <idno type="IdRef">190242221</idno>
          <idno type="ISNI">0000 0004 0638 384X</idno>
          <idno type="RNSR">197417418A</idno>
          <idno type="ROR">https://ror.org/01rtzw447</idno>
          <orgName>Laboratoire de chimie de coordination</orgName>
          <orgName type="acronym">LCC</orgName>
          <date type="start">2025-01-01</date>
          <desc>
            <address>
              <addrLine>205 Route de Narbonne 31077 TOULOUSE CEDEX 4</addrLine>
              <country key="FR"/>
            </address>
            <ref type="url">http://www.lcc-toulouse.fr</ref>
          </desc>
          <listRelation>
            <relation active="#struct-341038" type="direct"/>
            <relation name="UPR8241" active="#struct-441569" type="direct"/>
            <relation active="#struct-448187" type="direct"/>
            <relation active="#struct-443875" type="indirect"/>
            <relation active="#struct-1574795" type="direct"/>
            <relation active="#struct-1612774" type="direct"/>
            <relation active="#struct-67872" type="indirect"/>
            <relation name="UAR2599" active="#struct-441569" type="direct"/>
          </listRelation>
        </org>
        <org type="regrouplaboratory" xml:id="struct-547096" status="VALID">
          <orgName>Department of Chemistry [York]</orgName>
          <desc>
            <address>
              <addrLine>Heslington, York YO10 5DD</addrLine>
              <country key="GB"/>
            </address>
            <ref type="url">https://www.york.ac.uk/chemistry/</ref>
          </desc>
          <listRelation>
            <relation active="#struct-124942" type="direct"/>
          </listRelation>
        </org>
        <org type="regroupinstitution" xml:id="struct-441569" status="VALID">
          <idno type="IdRef">02636817X</idno>
          <idno type="ISNI">0000000122597504</idno>
          <idno type="ROR">https://ror.org/02feahw73</idno>
          <orgName>Centre National de la Recherche Scientifique</orgName>
          <orgName type="acronym">CNRS</orgName>
          <date type="start">1939-10-19</date>
          <desc>
            <address>
              <country key="FR"/>
            </address>
            <ref type="url">https://www.cnrs.fr/</ref>
          </desc>
        </org>
        <org type="laboratory" xml:id="struct-61650" status="VALID">
          <orgName>Department of Chemistry [York, UK]</orgName>
          <desc>
            <address>
              <addrLine>University of York, Heslington, York, YO10 5DD</addrLine>
              <country key="GB"/>
            </address>
            <ref type="url">http://www.york.ac.uk/chemistry/</ref>
          </desc>
          <listRelation>
            <relation active="#struct-124942" type="direct"/>
          </listRelation>
        </org>
        <org type="institution" xml:id="struct-341038" status="VALID">
          <idno type="IdRef">232435103</idno>
          <idno type="ISNI">000000010626358X</idno>
          <idno type="ROR">https://ror.org/02cte4b68</idno>
          <orgName>Institut de Chimie - CNRS Chimie</orgName>
          <orgName type="acronym">INC-CNRS</orgName>
          <date type="start">2009-10-01</date>
          <desc>
            <address>
              <addrLine>CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE3 rue Michel-Ange75794 PARIS CEDEX 16 - France</addrLine>
              <country key="FR"/>
            </address>
            <ref type="url">http://www.cnrs.fr/inc</ref>
          </desc>
        </org>
        <org type="institution" xml:id="struct-448187" status="VALID">
          <idno type="IdRef">026388820</idno>
          <idno type="ISNI">0000000121766169</idno>
          <idno type="ROR">https://ror.org/033p9g875</idno>
          <orgName>Institut National Polytechnique (Toulouse)</orgName>
          <orgName type="acronym">Toulouse INP</orgName>
          <desc>
            <address>
              <country key="FR"/>
            </address>
            <ref type="url">https://www.inp-toulouse.fr/</ref>
          </desc>
          <listRelation>
            <relation active="#struct-443875" type="direct"/>
          </listRelation>
        </org>
        <org type="regroupinstitution" xml:id="struct-443875" status="VALID">
          <idno type="ROR">https://ror.org/017tgbk05</idno>
          <orgName>Communauté d'universités et établissements de Toulouse</orgName>
          <orgName type="acronym">Comue de Toulouse</orgName>
          <desc>
            <address>
              <addrLine>41 Allée Jules Guesde, 31000 Toulouse</addrLine>
              <country key="FR"/>
            </address>
            <ref type="url">https://www.univ-toulouse.fr/</ref>
          </desc>
        </org>
        <org type="institution" xml:id="struct-1574795" status="VALID">
          <orgName>Université de Toulouse</orgName>
          <orgName type="acronym">EPE UT</orgName>
          <date type="start">2025-01-01</date>
          <desc>
            <address>
              <addrLine>118 toute de Narbonne, 31062 Toulouse cedex 9</addrLine>
              <country key="FR"/>
            </address>
            <ref type="url">https://www.univ-tlse3.fr/</ref>
          </desc>
          <listRelation>
            <relation active="#struct-443875" type="direct"/>
          </listRelation>
        </org>
        <org type="regrouplaboratory" xml:id="struct-1612774" status="VALID">
          <idno type="IdRef">240309472</idno>
          <idno type="ISNI">0000 0004 4686 8315</idno>
          <idno type="RNSR">200310667L</idno>
          <orgName>Institut de Chimie de Toulouse</orgName>
          <orgName type="acronym">ICT</orgName>
          <date type="start">2025-01-01</date>
          <desc>
            <address>
              <addrLine>118 Route de Narbonne 31062 Toulouse cédex 9</addrLine>
              <country key="FR"/>
            </address>
          </desc>
          <listRelation>
            <relation active="#struct-67872" type="direct"/>
            <relation active="#struct-341038" type="direct"/>
            <relation name="UAR2599" active="#struct-441569" type="direct"/>
            <relation active="#struct-448187" type="direct"/>
            <relation active="#struct-443875" type="indirect"/>
            <relation active="#struct-1574795" type="direct"/>
          </listRelation>
        </org>
        <org type="institution" xml:id="struct-67872" status="VALID">
          <idno type="IdRef">050165224</idno>
          <idno type="ROR">https://ror.org/05q3vnk25</idno>
          <orgName>Institut de Recherche pour le Développement</orgName>
          <orgName type="acronym">IRD</orgName>
          <desc>
            <address>
              <addrLine>SiègeLe Sextant 44, bd de DunkerqueCS 9000913572 Marseille cedex 02</addrLine>
              <country key="FR"/>
            </address>
            <ref type="url">http://www.ird.fr/</ref>
          </desc>
        </org>
        <org type="institution" xml:id="struct-124942" status="VALID">
          <idno type="ROR">https://ror.org/04m01e293</idno>
          <orgName>University of York [York, UK]</orgName>
          <desc>
            <address>
              <addrLine>Heslington, York, YO10 5DD</addrLine>
              <country key="GB"/>
            </address>
            <ref type="url">http://www.york.ac.uk/</ref>
          </desc>
        </org>
      </listOrg>
      <listOrg type="projects">
        <org type="europeanProject" xml:id="projeurop-712995" status="VALID">
          <idno type="number">860322</idno>
          <idno type="program">H2020-MSCA-ITN-2019</idno>
          <idno type="call">H2020-MSCA-ITN-2019</idno>
          <orgName>CCIMC</orgName>
          <desc>Coordination chemistry inspires molecular catalysis</desc>
          <date type="start">2020-03-01</date>
          <date type="end">2024-02-29</date>
        </org>
      </listOrg>
    </back>
  </text>
</TEI>