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Article: Bonding analysis of titanocene borane σ-complexes

TitleBonding analysis of titanocene borane σ-complexes
Authors
Issue Date2000
PublisherAmerican 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?
AbstractBonding 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 Identifierhttp://hdl.handle.net/10722/167636
ISSN
2015 Impact Factor: 4.186
2015 SCImago Journal Rankings: 2.043
ISI Accession Number ID
References

 

DC FieldValueLanguage
dc.contributor.authorLam, WHen_US
dc.date.accessioned2012-10-08T03:09:18Z-
dc.date.available2012-10-08T03:09:18Z-
dc.date.issued2000en_US
dc.identifier.citationOrganometallics, 2000, v. 19 n. 13, p. 2625-2628en_US
dc.identifier.issn0276-7333en_US
dc.identifier.urihttp://hdl.handle.net/10722/167636-
dc.description.abstractBonding 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.languageengen_US
dc.publisherAmerican Chemical Society. The Journal's web site is located at http://pubs.acs.org/organometallicsen_US
dc.relation.ispartofOrganometallicsen_US
dc.titleBonding analysis of titanocene borane σ-complexesen_US
dc.typeArticleen_US
dc.identifier.emailLam, WH:chsue@hku.hken_US
dc.identifier.authorityLam, WH=rp00719en_US
dc.description.naturelink_to_subscribed_fulltexten_US
dc.identifier.doi10.1021/om000249pen_US
dc.identifier.scopuseid_2-s2.0-0033715283en_US
dc.relation.referenceshttp://www.scopus.com/mlt/select.url?eid=2-s2.0-0033715283&selection=ref&src=s&origin=recordpageen_US
dc.identifier.volume19en_US
dc.identifier.issue13en_US
dc.identifier.spage2625en_US
dc.identifier.epage2628en_US
dc.identifier.isiWOS:000087804200036-
dc.publisher.placeUnited Statesen_US
dc.identifier.scopusauthoridLam, WH=26642862800en_US

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