%0 Journal Article %A Petrisor, Cristina Elena %A Royo Cantabrana, Eva %A Cuenca Agreda, Tomás %A Gómez-Bengoa, Enrique %T Amidosilylcyclopentadienyl monoalkyl zirconium compounds: evidence of a N-assisted 1,3-proton shift olefin isomerization mechanism %D 2009 %@ 0276-7333 %U http://hdl.handle.net/10017/3832 %X New η5-cyclopentadienyl-η1-amido monoalkyl zirconium compounds of the type [ZrR(η5- C5H4SiMe2-η1-NtBu)(η5-C5H4R0)] (R = Me, Bn; R0 =H, SiMe3, SiMe2CH2CHdCH2) have been synthesized and fully characterized. Allyldimethylsilylcyclopentadienyl derivatives [ZrR(η5-C5H4SiMe2-η1-NtBu)(η5-C5H4SiMe2CH2CHdCH2)] isomerize the allyl fragment bound to the cyclopentadienyl ring to give the corresponding [ZrR(η5-C5H4SiMe2-η1-NtBu)(η5-C5H4SiMe2CHdCHCH3)] compounds (R=Me, Bn). Experimental as well as DFT computational studies support an isomerization mechanism based on a N-assisted 1,3-proton shift. %K Isomerización %K Organometálicos %K Zirconio %K Ciencia %K Química inorgánica %K Science %K Inorganic chemistry %~ Biblioteca Universidad de Alcala