Unexpected E-to-Z Isomerizations during the Negishi-Type Homocoupling of E-Iodoalkenes

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dc.contributor.authorCrovara, Fernanda A.
dc.contributor.authorMarti Ribas, Josep
dc.contributor.authorCosta, Ana Maria
dc.contributor.authorVilarrasa, Jaume
dc.date.accessioned2025-07-31T12:25:59Z
dc.date.available2025-07-31T12:25:59Z
dc.date.issued2024-12-01
dc.date.updated2025-07-31T12:25:59Z
dc.description.abstractThe 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.extent6 p.
dc.format.mimetypeapplication/pdf
dc.identifier.idgrec750933
dc.identifier.issn0022-3263
dc.identifier.urihttps://hdl.handle.net/2445/222729
dc.language.isoeng
dc.publisherAmerican Chemical Society
dc.relation.isformatofReproducció del document publicat a: https://doi.org/10.1021/acs.joc.3c02957
dc.relation.ispartofJournal of Organic Chemistry, 2024, vol. 89, num 19, p. 14483-14488
dc.relation.urihttps://doi.org/10.1021/acs.joc.3c02957
dc.rightscc-by (c) Crovara, Fernanda A., et al., 2024
dc.rights.accessRightsinfo:eu-repo/semantics/openAccess
dc.rights.urihttp://creativecommons.org/licenses/by/3.0/es/*
dc.sourceArticles publicats en revistes (Química Inorgànica i Orgànica)
dc.subject.classificationEnergia
dc.subject.classificationAnions
dc.subject.classificationPal·ladi (Element químic)
dc.subject.otherEnergy
dc.subject.otherAnions
dc.subject.otherPalladium
dc.titleUnexpected E-to-Z Isomerizations during the Negishi-Type Homocoupling of E-Iodoalkenes
dc.typeinfo:eu-repo/semantics/article
dc.typeinfo:eu-repo/semantics/publishedVersion

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