<?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-04341860</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="2026-05-02T09:22:15+02:00"/>
      </publicationStmt>
      <sourceDesc>
        <p part="N">HAL API Platform</p>
      </sourceDesc>
    </fileDesc>
  </teiHeader>
  <text>
    <body>
      <listBibl>
        <biblFull>
          <titleStmt>
            <title xml:lang="en">Trigonal prismatic coordination geometry imparted by a macrocyclic ligand: an approach to large axial magnetic anisotropy for Co(II)</title>
            <author role="aut">
              <persName>
                <forename type="first">Eva</forename>
                <surname>Zahradníková</surname>
              </persName>
              <idno type="idhal" notation="numeric">1325204</idno>
              <idno type="halauthorid" notation="string">2988055-1325204</idno>
              <idno type="ORCID">https://orcid.org/0000-0003-2896-3274</idno>
              <affiliation ref="#struct-341936"/>
            </author>
            <author role="crp">
              <persName>
                <forename type="first">Jean-Pascal</forename>
                <surname>Sutter</surname>
              </persName>
              <email type="md5">8060900b5238b2b37375056ebe61d75e</email>
              <email type="domain">lcc-toulouse.fr</email>
              <idno type="idhal" notation="string">jean-pascal-sutter</idno>
              <idno type="idhal" notation="numeric">738576</idno>
              <idno type="halauthorid" notation="string">122518-738576</idno>
              <idno type="RESEARCHERID">http://www.researcherid.com/rid/I-5114-2015</idno>
              <idno type="ORCID">https://orcid.org/0000-0003-4960-0579</idno>
              <idno type="IDREF">https://www.idref.fr/074244442</idno>
              <idno type="RESEARCHERID">http://www.researcherid.com/rid/http://www.researcherid.com/rid/I-5114-2015</idno>
              <affiliation ref="#struct-461"/>
            </author>
            <author role="aut">
              <persName>
                <forename type="first">Petr</forename>
                <surname>Halaš</surname>
              </persName>
              <idno type="idhal" notation="numeric">1325205</idno>
              <idno type="halauthorid" notation="string">2988056-1325205</idno>
              <idno type="ORCID">https://orcid.org/0000-0001-8689-8453</idno>
              <affiliation ref="#struct-341936"/>
            </author>
            <author role="crp">
              <persName>
                <forename type="first">Bohuslav</forename>
                <surname>Drahoš</surname>
              </persName>
              <email type="md5">c2dad0b77886e8ac8f3e0bdf6ea82b04</email>
              <email type="domain">upol.cz</email>
              <idno type="idhal" notation="numeric">1309356</idno>
              <idno type="halauthorid" notation="string">650413-1309356</idno>
              <idno type="ORCID">https://orcid.org/0000-0003-4298-4530</idno>
              <affiliation ref="#struct-341936"/>
            </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>Palacký University Olomouc</funder>
          </titleStmt>
          <editionStmt>
            <edition n="v1" type="current">
              <date type="whenSubmitted">2023-12-13 11:05:43</date>
              <date type="whenModified">2025-10-22 18:04:09</date>
              <date type="whenReleased">2023-12-14 11:28:37</date>
              <date type="whenProduced">2023</date>
              <date type="whenEndEmbargoed">2023-12-13</date>
              <ref type="file" target="https://hal.science/hal-04341860v1/document">
                <date notBefore="2023-12-13"/>
              </ref>
              <ref type="file" subtype="publisherPaid" n="1" target="https://hal.science/hal-04341860v1/file/Zahradn%C3%ADkov%C3%A1%2C%20Trigonal%20prismatic%20coordination%20geometry%2C%202023.pdf" id="file-4341980-3781366">
                <date notBefore="2023-12-13"/>
              </ref>
              <ref type="annex" n="0" target="https://hal.science/hal-04341860v1/file/Supplementary%20Materials%2C%20Zahradn%C3%ADkov%C3%A1%2C%20Trigonal%20prismatic%20coordination%20geometry%2C%202023.pdf" id="file-4341980-3781367">
                <date notBefore="2023-12-13"/>
              </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-04341860</idno>
            <idno type="halUri">https://hal.science/hal-04341860</idno>
            <idno type="halBibtex">zahradnikova:hal-04341860</idno>
            <idno type="halRefHtml">&lt;i&gt;Dalton Transactions&lt;/i&gt;, 2023, 52 (48), pp.18513-18524. &lt;a target="_blank" href="https://dx.doi.org/10.1039/d3dt02639f"&gt;&amp;#x27E8;10.1039/d3dt02639f&amp;#x27E9;&lt;/a&gt;</idno>
            <idno type="halRef">Dalton Transactions, 2023, 52 (48), pp.18513-18524. &amp;#x27E8;10.1039/d3dt02639f&amp;#x27E9;</idno>
            <availability status="restricted">
              <licence target="https://creativecommons.org/licenses/by/4.0/">CC BY 4.0 - Attribution<ref corresp="#file-4341980-3781366"/><ref corresp="#file-4341980-3781367"/></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="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>
          </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">Trigonal prismatic coordination geometry imparted by a macrocyclic ligand: an approach to large axial magnetic anisotropy for Co(II)</title>
                <author role="aut">
                  <persName>
                    <forename type="first">Eva</forename>
                    <surname>Zahradníková</surname>
                  </persName>
                  <idno type="idhal" notation="numeric">1325204</idno>
                  <idno type="halauthorid" notation="string">2988055-1325204</idno>
                  <idno type="ORCID">https://orcid.org/0000-0003-2896-3274</idno>
                  <affiliation ref="#struct-341936"/>
                </author>
                <author role="crp">
                  <persName>
                    <forename type="first">Jean-Pascal</forename>
                    <surname>Sutter</surname>
                  </persName>
                  <email type="md5">8060900b5238b2b37375056ebe61d75e</email>
                  <email type="domain">lcc-toulouse.fr</email>
                  <idno type="idhal" notation="string">jean-pascal-sutter</idno>
                  <idno type="idhal" notation="numeric">738576</idno>
                  <idno type="halauthorid" notation="string">122518-738576</idno>
                  <idno type="RESEARCHERID">http://www.researcherid.com/rid/I-5114-2015</idno>
                  <idno type="ORCID">https://orcid.org/0000-0003-4960-0579</idno>
                  <idno type="IDREF">https://www.idref.fr/074244442</idno>
                  <idno type="RESEARCHERID">http://www.researcherid.com/rid/http://www.researcherid.com/rid/I-5114-2015</idno>
                  <affiliation ref="#struct-461"/>
                </author>
                <author role="aut">
                  <persName>
                    <forename type="first">Petr</forename>
                    <surname>Halaš</surname>
                  </persName>
                  <idno type="idhal" notation="numeric">1325205</idno>
                  <idno type="halauthorid" notation="string">2988056-1325205</idno>
                  <idno type="ORCID">https://orcid.org/0000-0001-8689-8453</idno>
                  <affiliation ref="#struct-341936"/>
                </author>
                <author role="crp">
                  <persName>
                    <forename type="first">Bohuslav</forename>
                    <surname>Drahoš</surname>
                  </persName>
                  <email type="md5">c2dad0b77886e8ac8f3e0bdf6ea82b04</email>
                  <email type="domain">upol.cz</email>
                  <idno type="idhal" notation="numeric">1309356</idno>
                  <idno type="halauthorid" notation="string">650413-1309356</idno>
                  <idno type="ORCID">https://orcid.org/0000-0003-4298-4530</idno>
                  <affiliation ref="#struct-341936"/>
                </author>
              </analytic>
              <monogr>
                <idno type="halJournalId" status="VALID">12466</idno>
                <idno type="issn">1477-9226</idno>
                <idno type="eissn">1477-9234</idno>
                <title level="j">Dalton Transactions</title>
                <imprint>
                  <publisher>Royal Society of Chemistry</publisher>
                  <biblScope unit="volume">52</biblScope>
                  <biblScope unit="issue">48</biblScope>
                  <biblScope unit="pp">18513-18524</biblScope>
                  <date type="datePub">2023</date>
                </imprint>
              </monogr>
              <idno type="doi">10.1039/d3dt02639f</idno>
            </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>Large uniaxial magnetic anisotropy, expressed by a negative value of the axial zero-field splitting parameter D, has been achieved in a series of trigonal prismatic Co(II) complexes with the general formula [Co(L)X]Y, where L = 1,5,13,17,22-pentaazatricyclo[15.2.2.17,11]docosa-7,9,11(22)-triene, X = Cl−(1a,b), Br−(2), N3−(3), NCO−(4), NCS−(5), NCSe−(6), and Y = Cl−(1), Br−(2), NCS−(4), NCSe−(5), ClO4−(3,6). Complexes 1–6 are six-coordinate with the distorted trigonal prismatic geometry imparted by the pentadentate pyridine-/piperazine-based macrocyclic ligand L and by one monovalent coligand X−. Based on magnetic studies, all complexes 1–6 exhibit strong magnetic anisotropy with negative D-values ranging from about −20 to −41 cm−1. This variation in D (i.e. the increase of magnetic anisotropy) parallels the trend obtained by theoretical calculations and the lesser distortion of the coordination sphere with respect to the trigonal prismatic reference geometry. AC magnetic susceptibility investigations revealed field-induced single-molecule magnet behaviour for all complexes except Cl− derivative 1. The series investigated represents a rare example of Co(II) complexes with a robust trigonal prismatic geometry.</p>
            </abstract>
          </profileDesc>
        </biblFull>
      </listBibl>
    </body>
    <back>
      <listOrg type="structures">
        <org type="regroupinstitution" xml:id="struct-341936" status="VALID">
          <idno type="ROR">https://ror.org/04qxnmv42</idno>
          <orgName>Palacky University Olomouc</orgName>
          <date type="start">1573-01-01</date>
          <desc>
            <address>
              <addrLine>Olomouc, Moravie</addrLine>
              <country key="CZ"/>
            </address>
            <ref type="url">http://www.upol.cz/en/</ref>
          </desc>
        </org>
        <org type="laboratory" xml:id="struct-461" status="OLD">
          <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">1974-01-01</date>
          <date type="end">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-159253" type="direct"/>
            <relation active="#struct-67872" type="indirect"/>
            <relation active="#struct-217752" type="direct"/>
            <relation active="#struct-443875" type="indirect"/>
            <relation active="#struct-341038" type="direct"/>
            <relation name="UAR2599 / FR2599" active="#struct-441569" type="direct"/>
            <relation active="#struct-448187" type="direct"/>
            <relation name="UPR8241" active="#struct-441569" type="direct"/>
          </listRelation>
        </org>
        <org type="regrouplaboratory" xml:id="struct-159253" status="OLD">
          <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="end">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-217752" type="direct"/>
            <relation active="#struct-443875" type="indirect"/>
            <relation active="#struct-341038" type="direct"/>
            <relation name="UAR2599 / FR2599" active="#struct-441569" type="direct"/>
            <relation active="#struct-448187" 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-217752" status="OLD">
          <idno type="IdRef">026404672</idno>
          <idno type="ISNI">0000000121617331</idno>
          <idno type="ROR">https://ror.org/02v6kpv12</idno>
          <idno type="Wikidata">Q1273188</idno>
          <orgName>Université Toulouse III - Paul Sabatier</orgName>
          <orgName type="acronym">UT3</orgName>
          <date type="end">2025-01-01</date>
          <desc>
            <address>
              <addrLine>118 route de Narbonne - 31062 Toulouse</addrLine>
              <country key="FR"/>
            </address>
            <ref type="url">http://www.univ-tlse3.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-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="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="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>
      </listOrg>
    </back>
  </text>
</TEI>