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- Publisher Website: 10.1002/chem.200204570
- Scopus: eid_2-s2.0-0038790050
- PMID: 12866541
- WOS: WOS:000183712300012
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Article: Theoretical studies on the metathesis processes, [Tp(PH3)MR(η2-H-CH3)] → [Tp(PH3)M(CH3)(η2-H-R)] (M = Fe, Ru, and Os; R = H and CH3)
Title | Theoretical studies on the metathesis processes, [Tp(PH3)MR(η2-H-CH3)] → [Tp(PH3)M(CH3)(η2-H-R)] (M = Fe, Ru, and Os; R = H and CH3) |
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Authors | |
Keywords | C-H Activation Dft Calculations Metathesis Reaction Mechanisms |
Issue Date | 2003 |
Publisher | Wiley - V C H Verlag GmbH & Co KGaA. The Journal's web site is located at http://www.wiley-vch.de/home/chemistry |
Citation | Chemistry - A European Journal, 2003, v. 9 n. 12, p. 2775-2782 How to Cite? |
Abstract | Theoretical calculations on the metathesis process, [Tp(PH3)MR(η2-H-CH3)] → [Tp(PH3)M(CH3)(η2-H-R)] (M = Fe, Ru, and Os; R = H and CH3), have been systematically carried out to study their detailed reaction mechanisms. Other than the one-step mechanism via a four-center transition state and the two-step mechanism through an oxidative addition/reductive elimination pathway, a new one-step mechanism, with a transition state formed under oxidative addition, has been found. Based on the intrinsic reaction coordinate calculations, we found that the trajectories of the transferring hydrogen atom in the metathesis processes studied are similar to each other regardless of the nature of reaction mechanisms. |
Persistent Identifier | http://hdl.handle.net/10722/167806 |
ISSN | 2023 Impact Factor: 3.9 2023 SCImago Journal Rankings: 1.058 |
ISI Accession Number ID | |
References |
DC Field | Value | Language |
---|---|---|
dc.contributor.author | Lam, WH | en_US |
dc.contributor.author | Jia, G | en_US |
dc.contributor.author | Lin, Z | en_US |
dc.contributor.author | Lau, CP | en_US |
dc.contributor.author | Eisenstein, O | en_US |
dc.date.accessioned | 2012-10-08T03:11:52Z | - |
dc.date.available | 2012-10-08T03:11:52Z | - |
dc.date.issued | 2003 | en_US |
dc.identifier.citation | Chemistry - A European Journal, 2003, v. 9 n. 12, p. 2775-2782 | en_US |
dc.identifier.issn | 0947-6539 | en_US |
dc.identifier.uri | http://hdl.handle.net/10722/167806 | - |
dc.description.abstract | Theoretical calculations on the metathesis process, [Tp(PH3)MR(η2-H-CH3)] → [Tp(PH3)M(CH3)(η2-H-R)] (M = Fe, Ru, and Os; R = H and CH3), have been systematically carried out to study their detailed reaction mechanisms. Other than the one-step mechanism via a four-center transition state and the two-step mechanism through an oxidative addition/reductive elimination pathway, a new one-step mechanism, with a transition state formed under oxidative addition, has been found. Based on the intrinsic reaction coordinate calculations, we found that the trajectories of the transferring hydrogen atom in the metathesis processes studied are similar to each other regardless of the nature of reaction mechanisms. | en_US |
dc.language | eng | en_US |
dc.publisher | Wiley - V C H Verlag GmbH & Co KGaA. The Journal's web site is located at http://www.wiley-vch.de/home/chemistry | en_US |
dc.relation.ispartof | Chemistry - A European Journal | en_US |
dc.subject | C-H Activation | en_US |
dc.subject | Dft Calculations | en_US |
dc.subject | Metathesis | en_US |
dc.subject | Reaction Mechanisms | en_US |
dc.title | Theoretical studies on the metathesis processes, [Tp(PH3)MR(η2-H-CH3)] → [Tp(PH3)M(CH3)(η2-H-R)] (M = Fe, Ru, and Os; R = H and CH3) | en_US |
dc.type | Article | en_US |
dc.identifier.email | Lam, WH:chsue@hku.hk | en_US |
dc.identifier.authority | Lam, WH=rp00719 | en_US |
dc.description.nature | link_to_subscribed_fulltext | en_US |
dc.identifier.doi | 10.1002/chem.200204570 | en_US |
dc.identifier.pmid | 12866541 | - |
dc.identifier.scopus | eid_2-s2.0-0038790050 | en_US |
dc.relation.references | http://www.scopus.com/mlt/select.url?eid=2-s2.0-0038790050&selection=ref&src=s&origin=recordpage | en_US |
dc.identifier.volume | 9 | en_US |
dc.identifier.issue | 12 | en_US |
dc.identifier.spage | 2775 | en_US |
dc.identifier.epage | 2782 | en_US |
dc.identifier.isi | WOS:000183712300012 | - |
dc.publisher.place | Germany | en_US |
dc.identifier.scopusauthorid | Lam, WH=26642862800 | en_US |
dc.identifier.scopusauthorid | Jia, G=7103360705 | en_US |
dc.identifier.scopusauthorid | Lin, Z=7404230177 | en_US |
dc.identifier.scopusauthorid | Lau, CP=7401968356 | en_US |
dc.identifier.scopusauthorid | Eisenstein, O=7005543321 | en_US |
dc.identifier.issnl | 0947-6539 | - |