Del 8 al 12 de septiembre el IMIT recibió la visita de Roderick Wasylishen, un prestigioso investigador de la Universidad de Alberta, en Canadá.
Durante su estadía en Corrientes el investigador Wasylishen trabajó en colaboración con el grupo de Física Atómica y Molecular que dirige el Dr. Gustavo Aucar y dictó un seminario del que participaron integrantes de los diferentes grupos del IMIT e investigadores de FaCENA, titulado “Tautomerism and Hydrogen Bonding in 1,3-Diketones - Insights from Solid-State NMR Spectroscopy”, el mismo se llevó a cabo el día 11 de septiembre en el Dpto. de Física de la Facultad de Ciencias Exactas y Naturales y Agrimensura (FaCENA).
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A continuación se adjunta un resumen de su exposición.
Our research has focused on 1H, 13C and 17O NMR studies of several 1,3-diketones that exist as the enol tautomer in the solid state (e.g., dibenzoylmethane). The enol tautomer of these compounds are stabilized by intramolecular O--H--O hydrogen bonds, many of which are classified as low-barrier hydrogen bonds (i.e., O----O separations less than ≈ 2.5 Å). We have carried out systematic one- and two-dimensional NMR experiments of dibenzoylmethane and curcumin, both of which are examples of molecules that have LBHBs. Some interesting two-bond deuterium isotope effects on the 13C chemical shifts in the enol tautomer of 1,3-diketones will be presented. As well, recent results illustrating the value of solid-state NMR in characterizing two polymorphs of curcumin will be discussed (e.g., see: M.A. Matlinska, R.E. Wasylishen, G.M. Bernard, V.V, Terskikh, A. Brinkmann and V.K. Michaelis, Crystal Growth & Design, 2018, DOI: 10.1021/acs.cgd.8b00859). Our experimental data is supplemented by plane-wave density functional theory (DFT) computations.
