INQUIMAE   12526
INSTITUTO DE QUIMICA, FISICA DE LOS MATERIALES, MEDIOAMBIENTE Y ENERGIA
Unidad Ejecutora - UE
artículos
Título:
Long-range anisotropic effects in a V-shaped Tröger's base diformanilide: conformational study by NMR assignment and DFT calculations.
Autor/es:
TRUPP, LEANDRO; BARJA, BEATRIZ C.; LAURELLA, SERGIO L.; BRUTTOMESSO, ANDREA C.; TETTAMANZI, M. CRISTINA
Revista:
JOURNAL OF MOLECULAR STRUCTURE
Editorial:
ELSEVIER SCIENCE BV
Referencias:
Lugar: Amsterdam; Año: 2018 vol. 1157 p. 434 - 434
ISSN:
0022-2860
Resumen:
Herein we describe the synthesis and conformational analysis of a Troger´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 aresensitive to the configuration not only of the closest formamide moiety but also of the farthest one, due to longerange anisotropic effects. The temperature and the solvent polarity influence were analyzed to determine the different conformer populations and the corresponding rotational activation parameters.