2026-04-13T06:49:19Zhttps://recercat.cat/oai/requestoai:recercat.cat:2445/2227292025-12-04T21:42:59Zcom_2072_1057col_2072_478917col_2072_478933
RECERCAT
author
Crovara, Fernanda A.
author
Marti Ribas, Josep
author
Costa, Ana Maria
author
Vilarrasa, Jaume
2025-07-31T12:25:59Z2025-07-31T12:25:59Z2024-12-012025-07-31T12:25:59Z
The direct insertion of Zn into olefin–halide bonds is a challenge. When (E)-alkenyl iodides were treated with a very large excess of Zn nanoparticles, in the presence of Pd(PPh3)4, the dimerization was observed but, unexpectedly, yielding mainly Z,E-1,3-dienes. This apparently contrathermodynamic E-to-Z isomerization of organometallic intermediates is predicted to be general and is explained with the aid of DFT [principally M06/6-311+G(d,p)], MP2, and CCSD(T) calculations.
cc-by (c) Crovara, Fernanda A., et al., 2024 http://creativecommons.org/licenses/by/3.0/es/ info:eu-repo/semantics/openAccess
Energia
Anions
Pal·ladi (Element químic)
Energy
Anions
Palladium
Unexpected E-to-Z Isomerizations during the Negishi-Type Homocoupling of E-Iodoalkenes
info:eu-repo/semantics/article info:eu-repo/semantics/publishedVersion