Year: 2024
Type: article
Abstract: High Resolution Image Download MS PowerPoint Slide 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(PPh 3 ) 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.
Source: The Journal of Organic Chemistry
Authors: Fernanda A. Crovara, Josep Martí, Anna M. Costa, Jaume Vilarrasa
Institution: Universitat de Barcelona
Language: English
Subfield: Organic Chemistry
Field: Chemistry
Domain: Physical Sciences
Open Access status: hybrid
Estimated APC paid: $4,500
Funder: Fundació Bosch i Gimpera
Award: G3727166277
OpenAlex ID: W4402558321