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dc.contributor.authorZeng, Guixiangja
dc.contributor.authorMaeda, Satoshija
dc.contributor.authorTaketsugu, Tetsuyaja
dc.contributor.authorSakaki, Shigeyoshija
dc.contributor.alternative榊, 茂好ja
dc.date.accessioned2015-08-19T01:39:56Z-
dc.date.available2015-08-19T01:39:56Z-
dc.date.issued2014-04-25ja
dc.identifier.issn1521-3773ja
dc.identifier.urihttp://hdl.handle.net/2433/199584-
dc.description.abstractMain-group-element catalysts are a desirable alternative to transition-metal catalysts because of natural abundance and cost. However, the examples are very limited. Catalytic cycles involving a redox process and E-ligand cooperation (E=main-group element), which are often found in catalytic cycles of transition-metal catalysts, have not been reported. Herein theoretical investigations of a catalytic hydrogenation of azobenzene with ammonia-borane using a trivalent phosphorus compound, which was experimentally proposed to occur through P(III) /P(V) redox processes via an unusual pentavalent dihydridophosphorane, were performed. DFT and ONIOM(CCSD(T):MP2) calculations disclosed that this catalytic reaction occurs through a P-O cooperation mechanism, which resembles the metal-ligand cooperation mechanism of transition-metal catalysts.ja
dc.format.mimetypeapplication/pdfja
dc.language.isoengja
dc.publisherwileyja
dc.rightsThis is the peer reviewed version of the following article: Zeng, G., Maeda, S., Taketsugu, T. and Sakaki, S. (2014), Catalytic Transfer Hydrogenation by a Trivalent Phosphorus Compound: Phosphorus-Ligand Cooperation Pathway or PIII/PV Redox Pathway?. Angew. Chem. Int. Ed., 53: 4633–4637, which has been published in final form at http://dx.doi.org/10.1002/anie.201311104. This article may be used for non-commercial purposes in accordance with Wiley Terms and Conditions for Self-Archiving.ja
dc.rightsThis is not the published version. Please cite only the published version. この論文は出版社版でありません。引用の際には出版社版をご確認ご利用ください。ja
dc.subjectdensity functional calculationsja
dc.subjecthydrogenationja
dc.subjectmain-group elementsja
dc.subjectphosphorusja
dc.subjectredox chemistryja
dc.titleCatalytic transfer hydrogenation by a trivalent phosphorus compound: phosphorus-ligand cooperation pathway or P(III) /P(V) redox pathway?ja
dc.type.niitypeJournal Articleja
dc.identifier.jtitleAngewandte Chemieja
dc.identifier.volume53ja
dc.identifier.issue18ja
dc.identifier.spage4633ja
dc.identifier.epage4637ja
dc.relation.doi10.1002/anie.201311104ja
dc.textversionauthorja
dc.startdate.bitstreamsavailable2015-05-25ja
dc.identifier.pmid24668586ja
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