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- Publisher Website: 10.1021/om000249p
- Scopus: eid_2-s2.0-85021178932
- WOS: WOS:000087804200036
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Article: Bonding analysis of titanocene borane σ-complexes
Title | Bonding analysis of titanocene borane σ-complexes |
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Authors | |
Issue Date | 2000 |
Publisher | American Chemical Society. The Journal's web site is located at http://pubs.acs.org/organometallics |
Citation | Organometallics, 2000, v. 19 n. 13, p. 2625-2628 How to Cite? |
Abstract | Bonding analysis has been performed for complexes Cp2Ti(η2-HBcat)2 and Cp2Ti(PMe3)(η2-HBcat) through the aid of density functional theory calculations at the level of B3PW91. The significantly short B...B contact in the former complex is explained with an unusual three-center-two-electron bond involving the B-Ti-B triangle. In the Cp2Ti(PMe3)(η2-HBcat) complex, a related bonding feature involving a metal d orbital and an sp3-hybridized fragment orbital derived from the HBcat ligand is found to be responsible for the metal-boron interaction. |
Persistent Identifier | http://hdl.handle.net/10722/167636 |
ISSN | 2023 Impact Factor: 2.5 2023 SCImago Journal Rankings: 0.654 |
ISI Accession Number ID | |
References |
DC Field | Value | Language |
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dc.contributor.author | Lam, WH | en_US |
dc.date.accessioned | 2012-10-08T03:09:18Z | - |
dc.date.available | 2012-10-08T03:09:18Z | - |
dc.date.issued | 2000 | en_US |
dc.identifier.citation | Organometallics, 2000, v. 19 n. 13, p. 2625-2628 | en_US |
dc.identifier.issn | 0276-7333 | en_US |
dc.identifier.uri | http://hdl.handle.net/10722/167636 | - |
dc.description.abstract | Bonding analysis has been performed for complexes Cp2Ti(η2-HBcat)2 and Cp2Ti(PMe3)(η2-HBcat) through the aid of density functional theory calculations at the level of B3PW91. The significantly short B...B contact in the former complex is explained with an unusual three-center-two-electron bond involving the B-Ti-B triangle. In the Cp2Ti(PMe3)(η2-HBcat) complex, a related bonding feature involving a metal d orbital and an sp3-hybridized fragment orbital derived from the HBcat ligand is found to be responsible for the metal-boron interaction. | en_US |
dc.language | eng | en_US |
dc.publisher | American Chemical Society. The Journal's web site is located at http://pubs.acs.org/organometallics | en_US |
dc.relation.ispartof | Organometallics | en_US |
dc.title | Bonding analysis of titanocene borane σ-complexes | 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 | 10.1021/om000249p | en_US |
dc.identifier.scopus | eid_2-s2.0-85021178932 | en_US |
dc.relation.references | http://www.scopus.com/mlt/select.url?eid=2-s2.0-0033715283&selection=ref&src=s&origin=recordpage | en_US |
dc.identifier.volume | 19 | en_US |
dc.identifier.issue | 13 | en_US |
dc.identifier.spage | 2625 | en_US |
dc.identifier.epage | 2628 | en_US |
dc.identifier.isi | WOS:000087804200036 | - |
dc.publisher.place | United States | en_US |
dc.identifier.scopusauthorid | Lam, WH=26642862800 | en_US |
dc.identifier.issnl | 0276-7333 | - |