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dc.contributor.author
Díaz, Jimena Estela
dc.contributor.author
Mazzanti, Andrea
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Orelli, Liliana Raquel
dc.contributor.author
Mancinelli, Michele
dc.date.available
2021-03-31T15:35:05Z
dc.date.issued
2019-03
dc.identifier.citation
Díaz, Jimena Estela; Mazzanti, Andrea; Orelli, Liliana Raquel; Mancinelli, Michele; Conformational and Stereodynamic Behavior of Five to Seven-membered 1-Aryl-2-iminoazacycloalkanes; American Chemical Society Inc; ACS Omega; 4; 3; 3-2019; 4712-4720
dc.identifier.issn
2470-1343
dc.identifier.uri
http://hdl.handle.net/11336/129296
dc.description.abstract
The stereodynamic behavior of 1-arylpyrrolidin-2-imines, having a C aryl -N stereogenic axis, has been studied by means of dynamic nuclear magnetic resonance and density functional theory calculations, evaluating the steric effect of ortho-aryl substituents. The rotational barrier due to E/Z isomerism about the C=N-H bond was also determined. The dynamic stereochemistry of homologous six- and seven-membered iminoazacycloalkane rings and their oxo-analogues was also comparatively investigated, evidencing a ring size effect. It was found that the seven-membered heterocycle shows additional dynamic features because of ring inversion.
dc.format
application/pdf
dc.language.iso
eng
dc.publisher
American Chemical Society Inc
dc.rights
info:eu-repo/semantics/openAccess
dc.rights.uri
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.subject
NITROGEN HETEROCYCLES
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ATROPISOMERISM
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DYNAMIC NMR
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DFT CALCULATIONS
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Química Orgánica
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Ciencias Químicas
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CIENCIAS NATURALES Y EXACTAS
dc.title
Conformational and Stereodynamic Behavior of Five to Seven-membered 1-Aryl-2-iminoazacycloalkanes
dc.type
info:eu-repo/semantics/article
dc.type
info:ar-repo/semantics/artículo
dc.type
info:eu-repo/semantics/publishedVersion
dc.date.updated
2021-03-26T20:01:10Z
dc.journal.volume
4
dc.journal.number
3
dc.journal.pagination
4712-4720
dc.journal.pais
Estados Unidos
dc.description.fil
Fil: Díaz, Jimena Estela. Universidad de Buenos Aires. Facultad de Farmacia y Bioquímica. Departamento de Química Orgánica; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Houssay; Argentina. Universidad de Bologna; Italia
dc.description.fil
Fil: Mazzanti, Andrea. Universidad de Bologna; Italia
dc.description.fil
Fil: Orelli, Liliana Raquel. Universidad de Buenos Aires. Facultad de Farmacia y Bioquímica. Departamento de Química Orgánica; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Houssay; Argentina
dc.description.fil
Fil: Mancinelli, Michele. Universidad de Bologna; Italia
dc.journal.title
ACS Omega
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1021/acsomega.9b00192
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