Long-range anisotropic effects in a V–shaped Tröger's base diformanilide: Conformational study by NMR assignment and DFT calculations

dc.creatorTrupp, Leandro Julián
dc.creatorLaurella, Sergio Luis
dc.creatorTettamanzi, M. Cristina
dc.creatorBarja, Beatriz Carmen
dc.creatorBruttomesso, Andrea
dc.date2018-04
dc.date2020-07-09T14:42:03Z
dc.date.accessioned2023-07-14T20:36:29Z
dc.date.available2023-07-14T20:36:29Z
dc.identifierhttp://sedici.unlp.edu.ar/handle/10915/100350
dc.identifierhttps://ri.conicet.gov.ar/11336/88777
dc.identifierissn:0022-2860
dc.identifier.urihttps://repositorioslatinoamericanos.uchile.cl/handle/2250/7439901
dc.descriptionHerein we describe the synthesis and conformational analysis of a Tröger's base diformanilide whose distinctive NMR spectra was fully assigned via DFT calculations. The complexity of the spectra originated by the presence of three conformers in equilibrium shows that the nuclei in each side of the molecule are sensitive to the configuration not only of the closest formamide moiety but also of the farthest one, due to long–range anisotropic effects. The temperature and the solvent polarity influence were analyzed to determine the different conformer populations and the corresponding rotational activation parameters.
dc.descriptionCentro de Química Inorgánica
dc.formatapplication/pdf
dc.format434-443
dc.languageen
dc.rightshttp://creativecommons.org/licenses/by-nc-sa/4.0/
dc.rightsCreative Commons Attribution-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0)
dc.subjectQuímica
dc.subjectConformational analysis
dc.subjectDiformanilide
dc.subjectLine shape analysis
dc.subjectLong-range anisotropy
dc.subjectNmr spectroscopy
dc.subjectTheoretical calculations
dc.subjectTröger's base
dc.subjectVariable temperature nmr
dc.titleLong-range anisotropic effects in a V–shaped Tröger's base diformanilide: Conformational study by NMR assignment and DFT calculations
dc.typeArticulo
dc.typePreprint


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