ABOUT

Our research interests are focused on the experimental and theoretical NMR shielding tensor (σ) and scalar spin-spin coupling constants (J) involving several nuclei such as ¹H, ¹³C, ¹⁵N and ¹⁹F. Experimental and theoretical J coupling are used to determine the most stable conformers for a series of small organic molecules while quantum mechanics calculations are used to address the stereoelectronic interactions responsible for conformational preferences and how these interactions affect the experimental NMR parameters.

We are also interested in employ diffusion NMR to separate the signals from different species due to their diffusion behaviour (Diffusion-Ordered SpectroscopY, DOSY). In the most difficult cases, when compounds diffuse at the same rate (as is common for cognate species), we manipulate the matrix in which they diffuse, dubbed as Matrix-Assisted DOSY (MAD). In our group, we merge a series of experimental NMR measurement to evaluate time course organic reaction to understand reaction mechanism and their stereochemistry, supported by quantum mechanics calculation. We are also developing new NMR experiments to improve our knowledge about molecular stability, which is very important in pharmaceutical area to evaluate the drug degradation profiles.