A Zeolite‐Supported Molecular Ruthenium Complex with η6‐C6H6 Ligands: Chemistry Elucidated by Using Spectroscopy and Density Functional Theory
Identifieur interne : 003E01 ( Main/Curation ); précédent : 003E00; suivant : 003E02A Zeolite‐Supported Molecular Ruthenium Complex with η6‐C6H6 Ligands: Chemistry Elucidated by Using Spectroscopy and Density Functional Theory
Auteurs : Isao Ogino ; Mingyang Chen ; Jason Dyer ; Philip Kletnieks [États-Unis] ; James Haw [États-Unis] ; David Dixon [États-Unis] ; Bruce Gates [États-Unis]Source :
- Chemistry – A European Journal [ 0947-6539 ] ; 2010-07-05.
English descriptors
Abstract
An essentially molecular ruthenium–benzene complex anchored at the aluminum sites of dealuminated zeolite Y was formed by treating a zeolite‐supported mononuclear ruthenium complex, [Ru(acac)(η2‐C2H4)2]+ (acac=acetylacetonate, C5H7O2−), with 13C6H6 at 413 K. IR, 13C NMR, and extended X‐ray absorption fine structure (EXAFS) spectra of the sample reveal the replacement of two ethene ligands and one acac ligand in the original complex with one 13C6H6 ligand and the formation of adsorbed protonated acac (Hacac). The EXAFS results indicate that the supported [Ru(η6‐C6H6)]2+ incorporates an oxygen atom of the support to balance the charge, being bonded to the zeolite through three RuO bonds. The supported ruthenium–benzene complex is analogous to complexes with polyoxometalate ligands, consistent with the high structural uniformity of the zeolite‐supported species, which led to good agreement between the spectra and calculations at the density functional theory level. The calculations show that the interaction of the zeolite with the Hacac formed on treatment of the original complex with 13C6H6 drives the reaction to form the ruthenium–benzene complex.
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DOI: 10.1002/chem.201000303
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Isao Ogino<affiliation><wicri:noCountry code="subField">Fax: (+1) 530‐752‐1031</wicri:noCountry></affiliation><affiliation><wicri:noCountry code="subField">Fax: (+1) 205‐348‐4704</wicri:noCountry></affiliation><affiliation><wicri:noCountry code="subField">Fax: (+1) 205‐348‐4704</wicri:noCountry></affiliation><affiliation><wicri:noCountry code="subField">Fax: (+1) 205‐348‐4704</wicri:noCountry></affiliation><affiliation wicri:level="1"><country wicri:rule="url">États-Unis</country></affiliation><affiliation><wicri:noCountry code="subField">Fax: (+1) 530‐752‐1031</wicri:noCountry></affiliation><affiliation wicri:level="1"><country wicri:rule="url">États-Unis</country></affiliation>Le document en format XML
<record><TEI wicri:istexFullTextTei="biblStruct"><teiHeader><fileDesc><titleStmt><title xml:lang="en">A Zeolite‐Supported Molecular Ruthenium Complex with η6‐C6H6 Ligands: Chemistry Elucidated by Using Spectroscopy and Density Functional Theory</title><author><name sortKey="Ogino, Isao" sort="Ogino, Isao" uniqKey="Ogino I" first="Isao" last="Ogino">Isao Ogino</name></author><author><name sortKey="Chen, Mingyang" sort="Chen, Mingyang" uniqKey="Chen M" first="Mingyang" last="Chen">Mingyang Chen</name></author><author><name sortKey="Dyer, Jason" sort="Dyer, Jason" uniqKey="Dyer J" first="Jason" last="Dyer">Jason Dyer</name></author><author><name sortKey="Kletnieks, Philip" sort="Kletnieks, Philip" uniqKey="Kletnieks P" first="Philip" last="Kletnieks">Philip Kletnieks</name></author><author><name sortKey="Haw, James" sort="Haw, James" uniqKey="Haw J" first="James" last="Haw">James Haw</name></author><author><name sortKey="Dixon, David" sort="Dixon, David" uniqKey="Dixon D" first="David" last="Dixon">David Dixon</name></author><author><name sortKey="Gates, Bruce" sort="Gates, Bruce" uniqKey="Gates B" first="Bruce" last="Gates">Bruce Gates</name></author></titleStmt><publicationStmt><idno type="wicri:source">ISTEX</idno><idno type="RBID">ISTEX:72FEB7BFF30A01321E7CCB623A070704BBEF8D76</idno><date when="2010" year="2010">2010</date><idno type="doi">10.1002/chem.201000303</idno><idno type="url">https://api.istex.fr/document/72FEB7BFF30A01321E7CCB623A070704BBEF8D76/fulltext/pdf</idno><idno type="wicri:Area/Istex/Corpus">002E76</idno><idno type="wicri:Area/Istex/Curation">002E76</idno><idno type="wicri:Area/Istex/Checkpoint">000B98</idno><idno type="wicri:doubleKey">0947-6539:2010:Ogino I:a:zeolite:supported</idno><idno type="wicri:Area/Main/Merge">003E59</idno><idno type="wicri:Area/Main/Curation">003E01</idno></publicationStmt><sourceDesc><biblStruct><analytic><title level="a" type="main" xml:lang="en">A Zeolite‐Supported Molecular Ruthenium Complex with η6‐C6H6 Ligands: Chemistry Elucidated by Using Spectroscopy and Density Functional Theory</title><author><name sortKey="Ogino, Isao" sort="Ogino, Isao" uniqKey="Ogino I" first="Isao" last="Ogino">Isao Ogino</name><affiliation><wicri:noCountry code="subField">Fax: (+1) 530‐752‐1031</wicri:noCountry></affiliation></author><author><name sortKey="Chen, Mingyang" sort="Chen, Mingyang" uniqKey="Chen M" first="Mingyang" last="Chen">Mingyang Chen</name><affiliation><wicri:noCountry code="subField">Fax: (+1) 205‐348‐4704</wicri:noCountry></affiliation></author><author><name sortKey="Dyer, Jason" sort="Dyer, Jason" uniqKey="Dyer J" first="Jason" last="Dyer">Jason Dyer</name><affiliation><wicri:noCountry code="subField">Fax: (+1) 205‐348‐4704</wicri:noCountry></affiliation></author><author><name sortKey="Kletnieks, Philip" sort="Kletnieks, Philip" uniqKey="Kletnieks P" first="Philip" last="Kletnieks">Philip Kletnieks</name><affiliation wicri:level="2"><country xml:lang="fr">États-Unis</country><placeName><region type="state">Californie</region></placeName><wicri:cityArea>Department of Chemistry, University of Southern California, Los Angeles</wicri:cityArea></affiliation></author><author><name sortKey="Haw, James" sort="Haw, James" uniqKey="Haw J" first="James" last="Haw">James Haw</name><affiliation wicri:level="2"><country xml:lang="fr">États-Unis</country><placeName><region type="state">Californie</region></placeName><wicri:cityArea>Department of Chemistry, University of Southern California, Los Angeles</wicri:cityArea></affiliation></author><author><name sortKey="Dixon, David" sort="Dixon, David" uniqKey="Dixon D" first="David" last="Dixon">David Dixon</name><affiliation><wicri:noCountry code="subField">Fax: (+1) 205‐348‐4704</wicri:noCountry></affiliation><affiliation wicri:level="1"><country wicri:rule="url">États-Unis</country></affiliation></author><author><name sortKey="Gates, Bruce" sort="Gates, Bruce" uniqKey="Gates B" first="Bruce" last="Gates">Bruce Gates</name><affiliation><wicri:noCountry code="subField">Fax: (+1) 530‐752‐1031</wicri:noCountry></affiliation><affiliation wicri:level="1"><country wicri:rule="url">États-Unis</country></affiliation></author></analytic><monogr></monogr><series><title level="j">Chemistry – A European Journal</title><title level="j" type="abbrev">Chem. 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J.</title><idno type="ISSN">0947-6539</idno><idno type="eISSN">1521-3765</idno><imprint><publisher>WILEY‐VCH Verlag</publisher><pubPlace>Weinheim</pubPlace><date type="published" when="2010-07-05">2010-07-05</date><biblScope unit="volume">16</biblScope><biblScope unit="issue">25</biblScope><biblScope unit="page" from="7427">7427</biblScope><biblScope unit="page" to="7436">7436</biblScope></imprint><idno type="ISSN">0947-6539</idno></series><idno type="istex">72FEB7BFF30A01321E7CCB623A070704BBEF8D76</idno><idno type="DOI">10.1002/chem.201000303</idno><idno type="ArticleID">CHEM201000303</idno></biblStruct></sourceDesc><seriesStmt><idno type="ISSN">0947-6539</idno></seriesStmt></fileDesc><profileDesc><textClass><keywords scheme="KwdEn" xml:lang="en"><term>EXAFS spectroscopy</term><term>NMR spectroscopy</term><term>density functional calculations</term><term>ruthenium</term><term>zeolites</term></keywords></textClass><langUsage><language ident="en">en</language></langUsage></profileDesc></teiHeader><front><div type="abstract" xml:lang="en">An essentially molecular ruthenium–benzene complex anchored at the aluminum sites of dealuminated zeolite Y was formed by treating a zeolite‐supported mononuclear ruthenium complex, [Ru(acac)(η2‐C2H4)2]+ (acac=acetylacetonate, C5H7O2−), with 13C6H6 at 413 K. IR, 13C NMR, and extended X‐ray absorption fine structure (EXAFS) spectra of the sample reveal the replacement of two ethene ligands and one acac ligand in the original complex with one 13C6H6 ligand and the formation of adsorbed protonated acac (Hacac). The EXAFS results indicate that the supported [Ru(η6‐C6H6)]2+ incorporates an oxygen atom of the support to balance the charge, being bonded to the zeolite through three RuO bonds. The supported ruthenium–benzene complex is analogous to complexes with polyoxometalate ligands, consistent with the high structural uniformity of the zeolite‐supported species, which led to good agreement between the spectra and calculations at the density functional theory level. The calculations show that the interaction of the zeolite with the Hacac formed on treatment of the original complex with 13C6H6 drives the reaction to form the ruthenium–benzene complex.</div></front></TEI></record>Pour manipuler ce document sous Unix (Dilib)
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