Intramolecular coordination of an alkene to a mixed dicyclopentadienyl benzyl zirconium cation studied by NMR spectroscopy

Authors
Galakhov, Mikhail V.; Heinz, Georg; Royo Gracia, PascualUniversity of Alcalá Author
Identifiers
Permanent link (URI): http://hdl.handle.net/10017/4972
DOI: 10.1039/A704886F
ISSN: 1359-7345
Publisher
Royal Society of Chemistry
Date
1998
Affiliation
Universidad de Alcalá. Departamento de Química Inorgánica
Funders
Financial support of our work by DGICTY (Project PB- 92/0178-C) and CAM(I+D0034/94) is gratefully acknowledged. G. H. is grateful to the University of Alcala for financial support and the Alexander von Humboldt-Stiftung for a fellowship
Bibliographic citation
Chemical Communications (Cambridge), 1998, v. 1, p. 17-18
Keywords
Benzylation
NMR spectroscopy
Zirconium cation
Project
PB-92/0178-C (Ministerio de Educación y Cultura)
I+D0034/94 (Comunidad de Madrid)
Document type
info:eu-repo/semantics/article
Version
info:eu-repo/semantics/publishedVersion
Publisher's version
http://dx.doi.org/10.1039/A704886F
Rights
(c) Royal Society of Chemistry, 1998
Access rights
info:eu-repo/semantics/openAccess
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Abstract
Benzylation of [Zr(¿5-C5H5){¿5-C5H4SiMe2(CH2CH:CH2)}Cl2] 1 yields [Zr(¿5-C5H5){¿5-C5H4SiMe2(CH2CH:CH2)}(CH2Ph)2] 2, which reacts with either B(C6F5)3 or [Ph3C][B(C6F5)4] to generate the same 14-electron cationic species, [Zr(¿5-C5H5){¿5-C5H4SiMe2(CH2CH:CH2)}(CH2Ph)]+ 3, which was fully characterized by 1H, 13C NMR and 1H DNMR spectroscopy. 3 Was fluxional in soln. Stabilization of 3 occurs by interaction of the ¿-bonding alkene orbital with the vacant 2a1 zirconium orbital and simultaneous overlapping of the HOMO ¿ alkene orbital with the vacant zirconium orbital of the same symmetry, b2. These interactions result in delocalized electron d. in the Zr-C-C system.
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