Crovara, Fernanda A.Marti Ribas, JosepCosta, Ana MariaVilarrasa, Jaume2025-07-312025-07-312024-12-010022-3263https://hdl.handle.net/2445/222729The 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.6 p.application/pdfengcc-by (c) Crovara, Fernanda A., et al., 2024http://creativecommons.org/licenses/by/3.0/es/EnergiaAnionsPal·ladi (Element químic)EnergyAnionsPalladiuminfo:eu-repo/semantics/article7509332025-07-31info:eu-repo/semantics/openAccess