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dc.contributor.author | Zeng, Guixiang | en |
dc.contributor.author | Maeda, Satoshi | en |
dc.contributor.author | Taketsugu, Tetsuya | en |
dc.contributor.author | Sakaki, Shigeyoshi | en |
dc.contributor.alternative | 榊, 茂好 | ja |
dc.date.accessioned | 2015-08-19T01:39:56Z | - |
dc.date.available | 2015-08-19T01:39:56Z | - |
dc.date.issued | 2014-04-25 | - |
dc.identifier.issn | 1521-3773 | - |
dc.identifier.uri | http://hdl.handle.net/2433/199584 | - |
dc.description.abstract | Main-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. | en |
dc.format.mimetype | application/pdf | - |
dc.language.iso | eng | - |
dc.publisher | wiley | en |
dc.rights | This 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. | en |
dc.rights | This is not the published version. Please cite only the published version. | en |
dc.rights | 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.subject | density functional calculations | en |
dc.subject | hydrogenation | en |
dc.subject | main-group elements | en |
dc.subject | phosphorus | en |
dc.subject | redox chemistry | en |
dc.title | Catalytic transfer hydrogenation by a trivalent phosphorus compound: phosphorus-ligand cooperation pathway or P(III) /P(V) redox pathway? | en |
dc.type | journal article | - |
dc.type.niitype | Journal Article | - |
dc.identifier.jtitle | Angewandte Chemie | en |
dc.identifier.volume | 53 | - |
dc.identifier.issue | 18 | - |
dc.identifier.spage | 4633 | - |
dc.identifier.epage | 4637 | - |
dc.relation.doi | 10.1002/anie.201311104 | - |
dc.textversion | author | - |
dc.startdate.bitstreamsavailable | 2015-05-25 | - |
dc.identifier.pmid | 24668586 | - |
dcterms.accessRights | open access | - |
出現コレクション: | 学術雑誌掲載論文等 |
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