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

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...

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Detalles Bibliográficos
Autores principales:	Trupp, Leandro Julián, Laurella, Sergio Luis, Tettamanzi, M. Cristina, Barja, Beatriz Carmen, Bruttomesso, Andrea
Formato:	Articulo Preprint
Lenguaje:	Inglés
Publicado:	2018
Materias:	Química Conformational analysis Diformanilide Line shape analysis Long-range anisotropy Nmr spectroscopy Theoretical calculations Tröger's base Variable temperature nmr
Acceso en línea:	http://sedici.unlp.edu.ar/handle/10915/100350 https://ri.conicet.gov.ar/11336/88777
Aporte de:	SEDICI (UNLP) de Universidad Nacional de La Plata

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institution	Universidad Nacional de La Plata
institution_str	I-19
repository_str	R-120
collection	SEDICI (UNLP)
language	Inglés
topic	Química Conformational analysis Diformanilide Line shape analysis Long-range anisotropy Nmr spectroscopy Theoretical calculations Tröger's base Variable temperature nmr
spellingShingle	Química Conformational analysis Diformanilide Line shape analysis Long-range anisotropy Nmr spectroscopy Theoretical calculations Tröger's base Variable temperature nmr Trupp, Leandro Julián Laurella, Sergio Luis Tettamanzi, M. Cristina Barja, Beatriz Carmen Bruttomesso, Andrea Long-range anisotropic effects in a V–shaped Tröger's base diformanilide: Conformational study by NMR assignment and DFT calculations
topic_facet	Química Conformational analysis Diformanilide Line shape analysis Long-range anisotropy Nmr spectroscopy Theoretical calculations Tröger's base Variable temperature nmr
description	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.
format	Articulo Preprint
author	Trupp, Leandro Julián Laurella, Sergio Luis Tettamanzi, M. Cristina Barja, Beatriz Carmen Bruttomesso, Andrea
author_facet	Trupp, Leandro Julián Laurella, Sergio Luis Tettamanzi, M. Cristina Barja, Beatriz Carmen Bruttomesso, Andrea
author_sort	Trupp, Leandro Julián
title	Long-range anisotropic effects in a V–shaped Tröger's base diformanilide: Conformational study by NMR assignment and DFT calculations
title_short	Long-range anisotropic effects in a V–shaped Tröger's base diformanilide: Conformational study by NMR assignment and DFT calculations
title_full	Long-range anisotropic effects in a V–shaped Tröger's base diformanilide: Conformational study by NMR assignment and DFT calculations
title_fullStr	Long-range anisotropic effects in a V–shaped Tröger's base diformanilide: Conformational study by NMR assignment and DFT calculations
title_full_unstemmed	Long-range anisotropic effects in a V–shaped Tröger's base diformanilide: Conformational study by NMR assignment and DFT calculations
title_sort	long-range anisotropic effects in a v–shaped tröger's base diformanilide: conformational study by nmr assignment and dft calculations
publishDate	2018
url	http://sedici.unlp.edu.ar/handle/10915/100350 https://ri.conicet.gov.ar/11336/88777
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Long-range anisotropic effects in a V–shaped Tröger's base diformanilide: Conformational study by NMR assignment and DFT calculations

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