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dc.date.accessioned 2020-07-09T14:42:03Z
dc.date.available 2020-07-09T14:42:03Z
dc.date.issued 2018-04
dc.identifier.uri http://sedici.unlp.edu.ar/handle/10915/100350
dc.description.abstract Herein 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. en
dc.format.extent 434-443 es
dc.language en es
dc.subject Conformational analysis es
dc.subject Diformanilide es
dc.subject Line shape analysis es
dc.subject Long-range anisotropy es
dc.subject Nmr spectroscopy es
dc.subject Theoretical calculations es
dc.subject Tröger's base es
dc.subject Variable temperature nmr es
dc.title Long-range anisotropic effects in a V–shaped Tröger's base diformanilide: Conformational study by NMR assignment and DFT calculations en
dc.type Articulo es
sedici.identifier.uri https://ri.conicet.gov.ar/11336/88777 es
sedici.identifier.other https://doi.org/10.1016/j.molstruc.2017.11.092 es
sedici.identifier.other hdl:11336/88777 es
sedici.identifier.issn 0022-2860 es
sedici.creator.person Trupp, Leandro Julián es
sedici.creator.person Laurella, Sergio Luis es
sedici.creator.person Tettamanzi, M. Cristina es
sedici.creator.person Barja, Beatriz Carmen es
sedici.creator.person Bruttomesso, Andrea es
sedici.subject.materias Química es
sedici.description.fulltext true es
mods.originInfo.place Centro de Química Inorgánica es
sedici.subtype Preprint es
sedici.rights.license Creative Commons Attribution-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0)
sedici.rights.uri http://creativecommons.org/licenses/by-nc-sa/4.0/
sedici.description.peerReview peer-review es
sedici.relation.journalTitle Journal of Molecular Structure es
sedici.relation.journalVolumeAndIssue vol. 1157 es


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Creative Commons Attribution-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0) Excepto donde se diga explícitamente, este item se publica bajo la siguiente licencia Creative Commons Attribution-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0)