2026-04-19T12:58:23Zhttps://recercat.cat/oai/request

oai:recercat.cat:2445/2227292025-12-04T21:42:59Zcom_2072_1057col_2072_478917col_2072_478933

00925njm 22002777a 4500 dc Crovara, Fernanda A. author Marti Ribas, Josep author Costa, Ana Maria author Vilarrasa, Jaume author 2025-07-31T12:25:59Z 2025-07-31T12:25:59Z 2024-12-01 2025-07-31T12:25:59Z 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. Energia Anions Pal·ladi (Element químic) Energy Anions Palladium Unexpected E-to-Z Isomerizations during the Negishi-Type Homocoupling of E-Iodoalkenes