Mostrar el registro sencillo del ítem
dc.contributor.author
Blanco, Sonia Encarnacion
dc.contributor.author
Ferretti, Ferdinando Hector
dc.date.available
2021-08-21T13:14:16Z
dc.date.issued
2007-04-02
dc.identifier.citation
Blanco, Sonia Encarnacion; Ferretti, Ferdinando Hector; Solvent and substituent effects on the conformational equilibria and intramolecular hydrogen bonding of 4-substituted-2-hydroxybenzaldehydes; Pergamon-Elsevier Science Ltd; Tetrahedron Letters; 48; 14; 2-4-2007; 2577-2581
dc.identifier.issn
0040-4039
dc.identifier.uri
http://hdl.handle.net/11336/138666
dc.description.abstract
By applying the B3LYP/6-31G(d) method with the SCIPCM model on seven 4X substituted 2-hydroxybenzaldehydes, some structural characteristics related with their conformational equilibria and intramolecular hydrogen bonds have been clarified. The compounds are almost completely under the planar conformation characterized by a strong intramolecular hydrogen bond, which decreases in those solvents that possess a higher hydrogen bond donating capability and polarity. The substituents exert a marked influence on the conformational equilibrium constants and the strength of the IHB. Moreover, the excellent Hammett-type equations obtained support the proposed conformational reactions to quantify the IHB in the o-hydroxybenzaldehydes studied.
dc.format
application/pdf
dc.language.iso
eng
dc.publisher
Pergamon-Elsevier Science Ltd
dc.rights
info:eu-repo/semantics/openAccess
dc.rights.uri
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.subject
2-HYDROXYBENZALDEHYDES
dc.subject
ACITY PARAMETER
dc.subject
CONFORMATIONAL EQUILIBRIA
dc.subject
DFT METHOD
dc.subject
INTRAMOLECULAR HYDROGEN BOND
dc.subject
SCIPCM MODEL
dc.subject
SOLVENT AND SUBSTITUENT EFFECTS
dc.subject.classification
Físico-Química, Ciencia de los Polímeros, Electroquímica
dc.subject.classification
Ciencias Químicas
dc.subject.classification
CIENCIAS NATURALES Y EXACTAS
dc.title
Solvent and substituent effects on the conformational equilibria and intramolecular hydrogen bonding of 4-substituted-2-hydroxybenzaldehydes
dc.type
info:eu-repo/semantics/article
dc.type
info:ar-repo/semantics/artículo
dc.type
info:eu-repo/semantics/publishedVersion
dc.date.updated
2021-07-29T13:55:49Z
dc.journal.volume
48
dc.journal.number
14
dc.journal.pagination
2577-2581
dc.journal.pais
Reino Unido
dc.description.fil
Fil: Blanco, Sonia Encarnacion. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - San Luis. Instituto Multidisciplinario de Investigaciones Biológicas de San Luis. Universidad Nacional de San Luis. Facultad de Ciencias Físico Matemáticas y Naturales. Instituto Multidisciplinario de Investigaciones Biológicas de San Luis; Argentina. Universidad Nacional de San Luis. Facultad de Química, Bioquímica y Farmacia. Departamento de Química. Área de Química Física; Argentina
dc.description.fil
Fil: Ferretti, Ferdinando Hector. Universidad Nacional de San Luis. Facultad de Química, Bioquímica y Farmacia. Departamento de Química. Área de Química Física; Argentina
dc.journal.title
Tetrahedron Letters
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/pii/S004040390700264X
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1016/j.tetlet.2007.02.012
Archivos asociados