RT Journal Article
T1 η 6 ‐Metalated Aryl Iodides in Diels‐Alder Cycloaddition Reactions: Mode of Activation and Catalysis
A1 Portela García de Blas, Susana
A1 Fernández López, Israel
AB The potential application of η6-metalated aryl iodides as organocatalyst has been explored by means of computational methods. It is found that the enhanced halogen bonding donor ability of these species, in comparison with their demetalated counterparts, translates into a significant acceleration of the Diels-Alder cycloaddition reaction involving cyclohexadiene and methyl vinyl ketone. The factors behind this acceleration, the endo-exo selectivity of the process and the influence of the nature of the transition metal fragment in the activity of these species are quantitatively explored in detail by means of the combination of the Activation Strain Model of reaction and the Energy Decomposition Analysis methods.
PB Wiley
SN 1861-4728
YR 2023
FD 2023
LK https://hdl.handle.net/20.500.14352/72992
UL https://hdl.handle.net/20.500.14352/72992
LA eng
NO Portela, Susana, y Israel Fernández. «η 6 ‐Metalated Aryl Iodides in Diels‐Alder Cycloaddition Reactions: Mode of Activation and Catalysis». Chemistry – An Asian Journal, vol. 18, n.o 3, febrero de 2023, p. e202201214. DOI.org (Crossref), https://doi.org/10.1002/asia.202201214.
NO CRUE-CSIC (Acuerdos Transformativos 2022)
NO Ministerio de Ciencia, Innovación y Universidades (España)
DS Docta Complutense
RD 12 may 2025