RT info:eu-repo/semantics/article
T1 Intramolecular coordination of an alkene to a mixed dicyclopentadienyl benzyl zirconium cation studied by NMR spectroscopy
A1 Galakhov, Mikhail V.
A1 Heinz, Georg
A1 Royo Gracia, Pascual
K1 Benzylation
K1 NMR spectroscopy
K1 Zirconium cation
K1 Ciencia
K1 Química inorgánica
K1 Science
K1 Chemistry, inorganic
AB 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.
PB Royal Society of Chemistry
SN 1359-7345
YR 1998
FD 1998
LK http://hdl.handle.net/10017/4972
UL http://hdl.handle.net/10017/4972
LA eng
NO 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
DS MINDS@UW
RD 19-abr-2024