%0 Journal Article 
%A Galakhov, Mikhail V.
%A Heinz, Georg
%A Royo Gracia, Pascual
%T Intramolecular coordination of an alkene to a mixed dicyclopentadienyl benzyl zirconium cation studied by NMR spectroscopy
%D 1998
%@ 1359-7345
%U http://hdl.handle.net/10017/4972
%X 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.
%K Benzylation
%K NMR spectroscopy
%K Zirconium cation
%K Ciencia
%K Química inorgánica
%K Science
%K Chemistry, inorganic
%~ Biblioteca Universidad de Alcala