RT info:eu-repo/semantics/article T1 Amidosilylcyclopentadienyl monoalkyl zirconium compounds: evidence of a N-assisted 1,3-proton shift olefin isomerization mechanism A1 Petrisor, Cristina Elena A1 Royo Cantabrana, Eva A1 Cuenca Agreda, José Tomás A1 Gómez-Bengoa, Enrique K1 Isomerización K1 Organometálicos K1 Zirconio K1 Ciencia K1 Química inorgánica K1 Science K1 Inorganic chemistry AB 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 beensynthesized and fully characterized. Allyldimethylsilylcyclopentadienyl derivatives [ZrR(η5-C5H4SiMe2-η1-NtBu)(η5-C5H4SiMe2CH2CHdCH2)] isomerize the allyl fragment bound to thecyclopentadienyl 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. PB ACS Journal Publishing SN 0276-7333 YR 2009 FD 2009 LK http://hdl.handle.net/10017/3832 UL http://hdl.handle.net/10017/3832 LA eng DS MINDS@UW RD 01-may-2024