0000000001250051
AUTHOR
Rolando A. Spanevello
Experimental and theoretical insights in the alkene-arene intramolecular π-stacking interaction
Chiral acrylic esters derived from biomass were developed as models to have a better insight in the aryl-vinyl π-stacking interactions. Quantum chemical calculations, NMR studies and experimental evidences demonstrated the presence of equilibriums of at least four different conformations: π-stacked and face-to-edge, each of them in an s-cis/s-trans conformation. The results show that the stabilization produced by the π-π interaction makes the π-stacked conformation predominant in solution and this stabilization is slightly affected by the electron density of the aromatic counterpart. Fil: Corne, Valeria. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológi…
CCDC 1006013: Experimental Crystal Structure Determination
Related Article: Valeria Corne, Ariel M. Sarotti, Carmen Ramirez de Arellano, Rolando A. Spanevello, Alejandra G. Suárez|2016|Beilstein J.Org.Chem.|12|1616|doi:10.3762/bjoc.12.158