Author: Rolando A. Spanevello

0000000001316082

AUTHOR

Rolando A. Spanevello

showing 2 related works from this author

Experimental and theoretical insights in the alkene-arene intramolecular π-stacking interaction

2016

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…

Electron densityStereochemistryasymmetric synthesisStackingBiomass010402 general chemistry01 natural sciencesFull Research PaperBIOMASS//purl.org/becyt/ford/1 [https]lcsh:QD241-441lcsh:Organic chemistryASYMMETRIC SYNTHESISComputational chemistryCONFORMATIONAL EQUILIBRIUMΠ-STACKING INTERACTION//purl.org/becyt/ford/1.4 [https]conformational equilibriumACRYLIC ESTERSlcsh:Sciencechemistry.chemical_classificationQuantum chemicalbiomass010405 organic chemistryAlkeneacrylic estersOtras Ciencias QuímicasOrganic ChemistryEnantioselective synthesisCiencias Químicasπ-stacking interaction0104 chemical sciencesChemistrychemistryIntramolecular forcelcsh:QCIENCIAS NATURALES Y EXACTAS

researchProduct

CCDC 1006013: Experimental Crystal Structure Determination

2018

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

9-((4-(trifluoromethyl)phenoxy)methyl)-522-dioxahexacyclo[7.6.6.136.028.01015.01621]docosa-101214161820-hexaen-7-yl acrylateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates

researchProduct

PEPhysical Sciences and Engineering
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