Organic Chemistry

Molecules cannot be seen directly, by many spectroscopic techniques (NMR, vibrational, circilar dichroism, etc.) often provide not only the structure, but also information about molecular flexibility and interactions. Conveniently, modern simulation and computational procedures can be used to interpret the spectra. Because the topic of molecular interactions with the environment is quite broad, in the thesis topic we select simple systems, such as metal complexes with sugar derivatives or nucleic acid components, and experimentally and theoretically (e.g. MD simulations) try to detect the nature of the interaction by available spectroscopies.