Preparation and structural characterization of the Ih and the D5h isomers of the endohedral fullerenes Tm3N@C80: icosahedral C80 cage encapsulation of a trimetallic nitride magnetic cluster with three uncoupled Tm3+ ions.
Identifieur interne : 000585 ( PubMed/Corpus ); précédent : 000584; suivant : 000586Preparation and structural characterization of the Ih and the D5h isomers of the endohedral fullerenes Tm3N@C80: icosahedral C80 cage encapsulation of a trimetallic nitride magnetic cluster with three uncoupled Tm3+ ions.
Auteurs : Tianming Zuo ; Marilyn M. Olmstead ; Christine M. Beavers ; Alan L. Balch ; Guangbin Wang ; Gordon T. Yee ; Chunying Shu ; Liaosa Xu ; Bevan Elliott ; Luis Echegoyen ; James C. Duchamp ; Harry C. DornSource :
- Inorganic chemistry [ 0020-1669 ] ; 2008.
English descriptors
- KwdEn :
- MESH :
- chemical , chemistry : Capsules, Fullerenes, Nitrogen, Thulium.
- Chromatography, High Pressure Liquid, Ions, Isomerism, Magnetics.
Abstract
We report an efficient method for the preparation and purification of the Ih and the D5h isomers of Tm3N@C80. Following preparation in a Kratschmer-Huffman electric-arc generator, the Tm3N@C80 isomers were obtained by a chemical separation process followed by a one-stage isomer selective chromatographic high-performance liquid chromatography (HPLC) separation (pyrenyl, 5PYE column). The HPLC chromatographic retention behavior on a pentabromobenzyl (5PBB) column suggests a charge transfer of approximately 6 electrons; [M3N] 6+@C80(6-) and the chromatographic retention mechanisms of the Ih and the D5h isomers of Tm3N@C80 on both 5PBB and 5PYE columns are discussed. Single-crystal X-ray diffraction data demonstrate that the Tm3N cluster has a planar structure but represents a tight fit for trapping the Tm3N cluster inside the I h - and the D 5h -C 80 cages. Specifically, the Tm atoms punch out the cage carbon atoms adjacent to them. The "punched out" effect can be demonstrated by cage radii and pyramidal angles at cage carbon atoms near the Tm atoms. The magnetic susceptibility (chiT) for Tm3N@ Ih -C80 was found to exhibit Curie-Weiss behavior with C = 23.4 emu.K/mol, which is consistent with the calculated value for three uncoupled Tm3+ ions by considering the spin and orbital contributions with no quenching of the orbital angular momentum ( L = 5, S = 1, and J = 6; Ccalcd = 23.3 emu.K/mol). The electrochemical measurements demonstrate that both the Ih and the D5h isomers of Tm3N@C80 have a large electrochemical gap.
DOI: 10.1021/ic800227x
PubMed: 18447327
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<record><TEI><teiHeader><fileDesc><titleStmt><title xml:lang="en">Preparation and structural characterization of the Ih and the D5h isomers of the endohedral fullerenes Tm3N@C80: icosahedral C80 cage encapsulation of a trimetallic nitride magnetic cluster with three uncoupled Tm3+ ions.</title><author><name sortKey="Zuo, Tianming" sort="Zuo, Tianming" uniqKey="Zuo T" first="Tianming" last="Zuo">Tianming Zuo</name><affiliation><nlm:affiliation>Chemistry Department, Virginia Polytechnic Institute and State University, Blacksburg, Virginia 24061, USA.</nlm:affiliation></affiliation></author><author><name sortKey="Olmstead, Marilyn M" sort="Olmstead, Marilyn M" uniqKey="Olmstead M" first="Marilyn M" last="Olmstead">Marilyn M. Olmstead</name></author><author><name sortKey="Beavers, Christine M" sort="Beavers, Christine M" uniqKey="Beavers C" first="Christine M" last="Beavers">Christine M. Beavers</name></author><author><name sortKey="Balch, Alan L" sort="Balch, Alan L" uniqKey="Balch A" first="Alan L" last="Balch">Alan L. Balch</name></author><author><name sortKey="Wang, Guangbin" sort="Wang, Guangbin" uniqKey="Wang G" first="Guangbin" last="Wang">Guangbin Wang</name></author><author><name sortKey="Yee, Gordon T" sort="Yee, Gordon T" uniqKey="Yee G" first="Gordon T" last="Yee">Gordon T. Yee</name></author><author><name sortKey="Shu, Chunying" sort="Shu, Chunying" uniqKey="Shu C" first="Chunying" last="Shu">Chunying Shu</name></author><author><name sortKey="Xu, Liaosa" sort="Xu, Liaosa" uniqKey="Xu L" first="Liaosa" last="Xu">Liaosa Xu</name></author><author><name sortKey="Elliott, Bevan" sort="Elliott, Bevan" uniqKey="Elliott B" first="Bevan" last="Elliott">Bevan Elliott</name></author><author><name sortKey="Echegoyen, Luis" sort="Echegoyen, Luis" uniqKey="Echegoyen L" first="Luis" last="Echegoyen">Luis Echegoyen</name></author><author><name sortKey="Duchamp, James C" sort="Duchamp, James C" uniqKey="Duchamp J" first="James C" last="Duchamp">James C. Duchamp</name></author><author><name sortKey="Dorn, Harry C" sort="Dorn, Harry C" uniqKey="Dorn H" first="Harry C" last="Dorn">Harry C. Dorn</name></author></titleStmt><publicationStmt><idno type="wicri:source">PubMed</idno><date when="2008">2008</date><idno type="doi">10.1021/ic800227x</idno><idno type="RBID">pubmed:18447327</idno><idno type="pmid">18447327</idno><idno type="wicri:Area/PubMed/Corpus">000585</idno><idno type="wicri:explorRef" wicri:stream="PubMed" wicri:step="Corpus" wicri:corpus="PubMed">000585</idno></publicationStmt><sourceDesc><biblStruct><analytic><title xml:lang="en">Preparation and structural characterization of the Ih and the D5h isomers of the endohedral fullerenes Tm3N@C80: icosahedral C80 cage encapsulation of a trimetallic nitride magnetic cluster with three uncoupled Tm3+ ions.</title><author><name sortKey="Zuo, Tianming" sort="Zuo, Tianming" uniqKey="Zuo T" first="Tianming" last="Zuo">Tianming Zuo</name><affiliation><nlm:affiliation>Chemistry Department, Virginia Polytechnic Institute and State University, Blacksburg, Virginia 24061, USA.</nlm:affiliation></affiliation></author><author><name sortKey="Olmstead, Marilyn M" sort="Olmstead, Marilyn M" uniqKey="Olmstead M" first="Marilyn M" last="Olmstead">Marilyn M. Olmstead</name></author><author><name sortKey="Beavers, Christine M" sort="Beavers, Christine M" uniqKey="Beavers C" first="Christine M" last="Beavers">Christine M. Beavers</name></author><author><name sortKey="Balch, Alan L" sort="Balch, Alan L" uniqKey="Balch A" first="Alan L" last="Balch">Alan L. Balch</name></author><author><name sortKey="Wang, Guangbin" sort="Wang, Guangbin" uniqKey="Wang G" first="Guangbin" last="Wang">Guangbin Wang</name></author><author><name sortKey="Yee, Gordon T" sort="Yee, Gordon T" uniqKey="Yee G" first="Gordon T" last="Yee">Gordon T. Yee</name></author><author><name sortKey="Shu, Chunying" sort="Shu, Chunying" uniqKey="Shu C" first="Chunying" last="Shu">Chunying Shu</name></author><author><name sortKey="Xu, Liaosa" sort="Xu, Liaosa" uniqKey="Xu L" first="Liaosa" last="Xu">Liaosa Xu</name></author><author><name sortKey="Elliott, Bevan" sort="Elliott, Bevan" uniqKey="Elliott B" first="Bevan" last="Elliott">Bevan Elliott</name></author><author><name sortKey="Echegoyen, Luis" sort="Echegoyen, Luis" uniqKey="Echegoyen L" first="Luis" last="Echegoyen">Luis Echegoyen</name></author><author><name sortKey="Duchamp, James C" sort="Duchamp, James C" uniqKey="Duchamp J" first="James C" last="Duchamp">James C. Duchamp</name></author><author><name sortKey="Dorn, Harry C" sort="Dorn, Harry C" uniqKey="Dorn H" first="Harry C" last="Dorn">Harry C. Dorn</name></author></analytic><series><title level="j">Inorganic chemistry</title><idno type="ISSN">0020-1669</idno><imprint><date when="2008" type="published">2008</date></imprint></series></biblStruct></sourceDesc></fileDesc><profileDesc><textClass><keywords scheme="KwdEn" xml:lang="en"><term>Capsules (chemistry)</term><term>Chromatography, High Pressure Liquid</term><term>Fullerenes (chemistry)</term><term>Ions</term><term>Isomerism</term><term>Magnetics</term><term>Nitrogen (chemistry)</term><term>Thulium (chemistry)</term></keywords><keywords scheme="MESH" type="chemical" qualifier="chemistry" xml:lang="en"><term>Capsules</term><term>Fullerenes</term><term>Nitrogen</term><term>Thulium</term></keywords><keywords scheme="MESH" xml:lang="en"><term>Chromatography, High Pressure Liquid</term><term>Ions</term><term>Isomerism</term><term>Magnetics</term></keywords></textClass></profileDesc></teiHeader><front><div type="abstract" xml:lang="en">We report an efficient method for the preparation and purification of the Ih and the D5h isomers of Tm3N@C80. Following preparation in a Kratschmer-Huffman electric-arc generator, the Tm3N@C80 isomers were obtained by a chemical separation process followed by a one-stage isomer selective chromatographic high-performance liquid chromatography (HPLC) separation (pyrenyl, 5PYE column). The HPLC chromatographic retention behavior on a pentabromobenzyl (5PBB) column suggests a charge transfer of approximately 6 electrons; [M3N] 6+@C80(6-) and the chromatographic retention mechanisms of the Ih and the D5h isomers of Tm3N@C80 on both 5PBB and 5PYE columns are discussed. Single-crystal X-ray diffraction data demonstrate that the Tm3N cluster has a planar structure but represents a tight fit for trapping the Tm3N cluster inside the I h - and the D 5h -C 80 cages. Specifically, the Tm atoms punch out the cage carbon atoms adjacent to them. The "punched out" effect can be demonstrated by cage radii and pyramidal angles at cage carbon atoms near the Tm atoms. The magnetic susceptibility (chiT) for Tm3N@ Ih -C80 was found to exhibit Curie-Weiss behavior with C = 23.4 emu.K/mol, which is consistent with the calculated value for three uncoupled Tm3+ ions by considering the spin and orbital contributions with no quenching of the orbital angular momentum ( L = 5, S = 1, and J = 6; Ccalcd = 23.3 emu.K/mol). The electrochemical measurements demonstrate that both the Ih and the D5h isomers of Tm3N@C80 have a large electrochemical gap.</div></front></TEI><pubmed><MedlineCitation Owner="NLM" Status="MEDLINE"><PMID Version="1">18447327</PMID><DateCreated><Year>2008</Year><Month>06</Month><Day>10</Day></DateCreated><DateCompleted><Year>2008</Year><Month>09</Month><Day>03</Day></DateCompleted><DateRevised><Year>2013</Year><Month>11</Month><Day>21</Day></DateRevised><Article PubModel="Print-Electronic"><Journal><ISSN IssnType="Print">0020-1669</ISSN><JournalIssue CitedMedium="Print"><Volume>47</Volume><Issue>12</Issue><PubDate><Year>2008</Year><Month>Jun</Month><Day>16</Day></PubDate></JournalIssue><Title>Inorganic chemistry</Title><ISOAbbreviation>Inorg Chem</ISOAbbreviation></Journal><ArticleTitle>Preparation and structural characterization of the Ih and the D5h isomers of the endohedral fullerenes Tm3N@C80: icosahedral C80 cage encapsulation of a trimetallic nitride magnetic cluster with three uncoupled Tm3+ ions.</ArticleTitle><Pagination><MedlinePgn>5234-44</MedlinePgn></Pagination><ELocationID EIdType="doi" ValidYN="Y">10.1021/ic800227x</ELocationID><Abstract><AbstractText>We report an efficient method for the preparation and purification of the Ih and the D5h isomers of Tm3N@C80. Following preparation in a Kratschmer-Huffman electric-arc generator, the Tm3N@C80 isomers were obtained by a chemical separation process followed by a one-stage isomer selective chromatographic high-performance liquid chromatography (HPLC) separation (pyrenyl, 5PYE column). The HPLC chromatographic retention behavior on a pentabromobenzyl (5PBB) column suggests a charge transfer of approximately 6 electrons; [M3N] 6+@C80(6-) and the chromatographic retention mechanisms of the Ih and the D5h isomers of Tm3N@C80 on both 5PBB and 5PYE columns are discussed. Single-crystal X-ray diffraction data demonstrate that the Tm3N cluster has a planar structure but represents a tight fit for trapping the Tm3N cluster inside the I h - and the D 5h -C 80 cages. Specifically, the Tm atoms punch out the cage carbon atoms adjacent to them. The "punched out" effect can be demonstrated by cage radii and pyramidal angles at cage carbon atoms near the Tm atoms. The magnetic susceptibility (chiT) for Tm3N@ Ih -C80 was found to exhibit Curie-Weiss behavior with C = 23.4 emu.K/mol, which is consistent with the calculated value for three uncoupled Tm3+ ions by considering the spin and orbital contributions with no quenching of the orbital angular momentum ( L = 5, S = 1, and J = 6; Ccalcd = 23.3 emu.K/mol). The electrochemical measurements demonstrate that both the Ih and the D5h isomers of Tm3N@C80 have a large electrochemical gap.</AbstractText></Abstract><AuthorList CompleteYN="Y"><Author ValidYN="Y"><LastName>Zuo</LastName><ForeName>Tianming</ForeName><Initials>T</Initials><AffiliationInfo><Affiliation>Chemistry Department, Virginia Polytechnic Institute and State University, Blacksburg, Virginia 24061, USA.</Affiliation></AffiliationInfo></Author><Author ValidYN="Y"><LastName>Olmstead</LastName><ForeName>Marilyn M</ForeName><Initials>MM</Initials></Author><Author ValidYN="Y"><LastName>Beavers</LastName><ForeName>Christine M</ForeName><Initials>CM</Initials></Author><Author ValidYN="Y"><LastName>Balch</LastName><ForeName>Alan L</ForeName><Initials>AL</Initials></Author><Author ValidYN="Y"><LastName>Wang</LastName><ForeName>Guangbin</ForeName><Initials>G</Initials></Author><Author ValidYN="Y"><LastName>Yee</LastName><ForeName>Gordon T</ForeName><Initials>GT</Initials></Author><Author ValidYN="Y"><LastName>Shu</LastName><ForeName>Chunying</ForeName><Initials>C</Initials></Author><Author ValidYN="Y"><LastName>Xu</LastName><ForeName>Liaosa</ForeName><Initials>L</Initials></Author><Author ValidYN="Y"><LastName>Elliott</LastName><ForeName>Bevan</ForeName><Initials>B</Initials></Author><Author ValidYN="Y"><LastName>Echegoyen</LastName><ForeName>Luis</ForeName><Initials>L</Initials></Author><Author ValidYN="Y"><LastName>Duchamp</LastName><ForeName>James C</ForeName><Initials>JC</Initials></Author><Author ValidYN="Y"><LastName>Dorn</LastName><ForeName>Harry C</ForeName><Initials>HC</Initials></Author></AuthorList><Language>eng</Language><GrantList CompleteYN="Y"><Grant><GrantID>1R01-CA119371-01</GrantID><Acronym>CA</Acronym><Agency>NCI NIH HHS</Agency><Country>United States</Country></Grant></GrantList><PublicationTypeList><PublicationType UI="D016428">Journal Article</PublicationType><PublicationType UI="D052061">Research Support, N.I.H., Extramural</PublicationType><PublicationType UI="D013486">Research Support, U.S. Gov't, Non-P.H.S.</PublicationType></PublicationTypeList><ArticleDate DateType="Electronic"><Year>2008</Year><Month>04</Month><Day>30</Day></ArticleDate></Article><MedlineJournalInfo><Country>United States</Country><MedlineTA>Inorg Chem</MedlineTA><NlmUniqueID>0366543</NlmUniqueID><ISSNLinking>0020-1669</ISSNLinking></MedlineJournalInfo><ChemicalList><Chemical><RegistryNumber>0</RegistryNumber><NameOfSubstance UI="D002214">Capsules</NameOfSubstance></Chemical><Chemical><RegistryNumber>0</RegistryNumber><NameOfSubstance UI="D037741">Fullerenes</NameOfSubstance></Chemical><Chemical><RegistryNumber>0</RegistryNumber><NameOfSubstance UI="D007477">Ions</NameOfSubstance></Chemical><Chemical><RegistryNumber>8RKC5ATI4P</RegistryNumber><NameOfSubstance UI="D013932">Thulium</NameOfSubstance></Chemical><Chemical><RegistryNumber>N762921K75</RegistryNumber><NameOfSubstance UI="D009584">Nitrogen</NameOfSubstance></Chemical></ChemicalList><CitationSubset>IM</CitationSubset><MeshHeadingList><MeshHeading><DescriptorName MajorTopicYN="N" UI="D002214">Capsules</DescriptorName><QualifierName MajorTopicYN="N" UI="Q000737">chemistry</QualifierName></MeshHeading><MeshHeading><DescriptorName MajorTopicYN="N" UI="D002851">Chromatography, High Pressure Liquid</DescriptorName></MeshHeading><MeshHeading><DescriptorName MajorTopicYN="N" UI="D037741">Fullerenes</DescriptorName><QualifierName MajorTopicYN="Y" UI="Q000737">chemistry</QualifierName></MeshHeading><MeshHeading><DescriptorName MajorTopicYN="N" UI="D007477">Ions</DescriptorName></MeshHeading><MeshHeading><DescriptorName MajorTopicYN="N" UI="D007536">Isomerism</DescriptorName></MeshHeading><MeshHeading><DescriptorName MajorTopicYN="Y" UI="D008280">Magnetics</DescriptorName></MeshHeading><MeshHeading><DescriptorName MajorTopicYN="N" UI="D009584">Nitrogen</DescriptorName><QualifierName MajorTopicYN="Y" UI="Q000737">chemistry</QualifierName></MeshHeading><MeshHeading><DescriptorName MajorTopicYN="N" UI="D013932">Thulium</DescriptorName><QualifierName MajorTopicYN="Y" UI="Q000737">chemistry</QualifierName></MeshHeading></MeshHeadingList></MedlineCitation><PubmedData><History><PubMedPubDate PubStatus="aheadofprint"><Year>2008</Year><Month>4</Month><Day>30</Day></PubMedPubDate><PubMedPubDate PubStatus="pubmed"><Year>2008</Year><Month>5</Month><Day>2</Day><Hour>9</Hour><Minute>0</Minute></PubMedPubDate><PubMedPubDate PubStatus="medline"><Year>2008</Year><Month>9</Month><Day>4</Day><Hour>9</Hour><Minute>0</Minute></PubMedPubDate><PubMedPubDate PubStatus="entrez"><Year>2008</Year><Month>5</Month><Day>2</Day><Hour>9</Hour><Minute>0</Minute></PubMedPubDate></History><PublicationStatus>ppublish</PublicationStatus><ArticleIdList><ArticleId IdType="doi">10.1021/ic800227x</ArticleId><ArticleId IdType="pubmed">18447327</ArticleId></ArticleIdList></PubmedData></pubmed></record>Pour manipuler ce document sous Unix (Dilib)
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