Absolute configuration assignment of natural and synthesized compounds

The stereochemistry of natural and synthesized compounds (namely, Absolute Configuration, AC) is strictly correlated to their biological activity. For instance, molecular AC may affect organoleptic properties of fragrances and food additives or drugs bioactivity. It is then crucial to employ reliable and unambiguous characterization approaches. With respect to other approaches, the chiroptical spectroscopies techniques, namely Vibrational Circular Dichroism (VCD), Electronic Circular Dichroism (ECD), Circularly Polarized Luminescence (CPL), Optical Rotation (OR) and Optical Rotatory Dispersion (ORD), result to be very powerful and reliable methods. A further advantage is the possibility to validate experimental data in a completely reliable way thanks to several non-empirical methods; in particular, one can make computational analyses via prediction of the chiroptical properties by means of ab initio calculations (i.e. by means of Density Functional Theory, DFT).