Quiralidad molecular y sopramolecular de sistemas de interés biológico y atmosférico estudiadas mediante técnicas espectroscópicas vibracionales sensibles (vcd) y no sensibles (ir y raman) a la quiralidad combinadas con cálculos químico cuánticos

Abstract

In this PhD, I have carried out (1) the conformational and/or the configurational analysis of some molecules with biological (amino acids, carbohydrates and one alkaloid) or atmospheric interest (terpenes) by the sensitive to chirality vibrational VCD (Vibrational Circular Dichroism) technique, and the non-sensitive IR and Raman ones, supported by high level quantum chemical calculations and (2) the study of supramolecular aggregates in two research lines following the mentioned methodology: on the one hand, (2.1) the chiral recognition processes between (all-S)-18c6H4 crown ether and the R/S-enantiomers of protonated serine amino acid (previously studied as an individual system) and (2.2) the determination of the absolute configuration of some 1H-indazole derivatives in the solid phase. Additional works on the determination of enantiomeric excess, characterization of structures in gas phase by rotational spectroscopy and understanding the aldo-enediolate tautomerism by studying a carbohydrate model have also been carried out.