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Start Over Descriptor "π-stacking interaction" Publisher beilstein-institut
3 results on '"π-stacking interaction"'

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

Author

Valeria Corne, Ariel M. Sarotti, Carmen Ramirez de Arellano, Rolando A. Spanevello, and Alejandra G. Suárez

Subjects
acrylic esters, asymmetric synthesis, biomass, conformational equilibrium, π-stacking interaction, Science, Organic chemistry, QD241-441
Abstract

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.

Published
2016
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2. Experimental and theoretical insights in the alkene–arene intramolecular π-stacking interaction

Author

Corne, Valeria, Sarotti, Ariel Marcelo, Ramirez de Arellano, Carmen, Spanevello, Rolando Ángel, and Suárez, Alejandra Graciela

Subjects
Acrylic Esters, Conformational Equilibrium, Biomass, π-stacking interaction, Asymmetric Synthesis
Abstract

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. Universidad Nacional de Rosario. Facultad de Ciencias Bioquímicas y Farmacéuticas. Instituto de Química Rosario (IQUIR–CONICET); Argentina. Fil: Sarotti, Ariel Marcelo. Universidad Nacional de Rosario. Facultad de Ciencias Bioquímicas y Farmacéuticas. Instituto de Química Rosario (IQUIR–CONICET); Argentina. Fil: Ramirez de Arellano, Carmen. Universidad de Valencia. Departamento de Química Orgánica; España. Fil: Spanevello, Rolando Ángel. Universidad Nacional de Rosario. Facultad de Ciencias Bioquímicas y Farmacéuticas. Instituto de Química Rosario (IQUIR–CONICET); Argentina. Fil: Suárez, Alejandra Graciela. Universidad Nacional de Rosario. Facultad de Ciencias Bioquímicas y Farmacéuticas. Instituto de Química Rosario (IQUIR–CONICET); Argentina.

Published
2016

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

Author

Carmen Ramírez de Arellano, Rolando A. Spanevello, Ariel M. Sarotti, Valeria Corne, and Alejandra G. Suárez

Subjects
Electron density, Stereochemistry, asymmetric synthesis, Stacking, Biomass, 010402 general chemistry, 01 natural sciences, Full Research Paper, BIOMASS, purl.org/becyt/ford/1 [https], lcsh:QD241-441, lcsh:Organic chemistry, ASYMMETRIC SYNTHESIS, Computational chemistry, CONFORMATIONAL EQUILIBRIUM, Π-STACKING INTERACTION, purl.org/becyt/ford/1.4 [https], conformational equilibrium, ACRYLIC ESTERS, lcsh:Science, chemistry.chemical_classification, Quantum chemical, biomass, 010405 organic chemistry, Alkene, acrylic esters, Otras Ciencias Químicas, Organic Chemistry, Enantioselective synthesis, Ciencias Químicas, π-stacking interaction, 0104 chemical sciences, Chemistry, chemistry, Intramolecular force, lcsh:Q, CIENCIAS NATURALES Y EXACTAS
Abstract

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 Tecnológico Conicet - Rosario. Instituto de Química Rosario. Universidad Nacional de Rosario. Facultad de Ciencias Bioquímicas y Farmacéuticas. Instituto de Química Rosario; Argentina Fil: Sarotti, Ariel Marcelo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Rosario. Instituto de Química Rosario. Universidad Nacional de Rosario. Facultad de Ciencias Bioquímicas y Farmacéuticas. Instituto de Química Rosario; Argentina Fil: De Arellano, Carmen Ramirez. Universidad de Valencia; España Fil: Spanevello, Rolando Angel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Rosario. Instituto de Química Rosario. Universidad Nacional de Rosario. Facultad de Ciencias Bioquímicas y Farmacéuticas. Instituto de Química Rosario; Argentina Fil: Suarez, Alejandra Graciela. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Rosario. Instituto de Química Rosario. Universidad Nacional de Rosario. Facultad de Ciencias Bioquímicas y Farmacéuticas. Instituto de Química Rosario; Argentina

Published
2016

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