dc.contributor.author
Crovara, Fernanda A.
dc.contributor.author
Marti Ribas, Josep
dc.contributor.author
Costa, Ana Maria
dc.contributor.author
Vilarrasa, Jaume
dc.date.issued
2025-07-31T12:25:59Z
dc.date.issued
2025-07-31T12:25:59Z
dc.date.issued
2024-12-01
dc.date.issued
2025-07-31T12:25:59Z
dc.identifier
https://hdl.handle.net/2445/222729
dc.description.abstract
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.
dc.format
application/pdf
dc.publisher
American Chemical Society
dc.relation
Reproducció del document publicat a: https://doi.org/10.1021/acs.joc.3c02957
dc.relation
Journal of Organic Chemistry, 2024, vol. 89, num 19, p. 14483-14488
dc.relation
https://doi.org/10.1021/acs.joc.3c02957
dc.rights
cc-by (c) Crovara, Fernanda A., et al., 2024
dc.rights
http://creativecommons.org/licenses/by/3.0/es/
dc.rights
info:eu-repo/semantics/openAccess
dc.source
Articles publicats en revistes (Química Inorgànica i Orgànica)
dc.subject
Pal·ladi (Element químic)
dc.title
Unexpected E-to-Z Isomerizations during the Negishi-Type Homocoupling of E-Iodoalkenes
dc.type
info:eu-repo/semantics/article
dc.type
info:eu-repo/semantics/publishedVersion
