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Please use this identifier to cite or link to this item: https://hdl.handle.net/2445/222729
Unexpected E-to-Z Isomerizations during the Negishi-Type Homocoupling of E-Iodoalkenes
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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.
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CROVARA, Fernanda A., et al. Unexpected E-to-Z Isomerizations during the Negishi-Type Homocoupling of E-Iodoalkenes. Journal of Organic Chemistry. 2024. Vol. 89, num. num 19, pags. 14483-14488. ISSN 0022-3263. [consulted: 18 of June of 2026]. Available at: https://hdl.handle.net/2445/222729