Molecular Spectroscopy (MolSpec) group

Current research interest of Molecular Spectroscopy group is focused on a combination of spectroscopic and computational methods for the characterization of complex organic molecules and materials. IR, Raman and vibrational circular dichroism spectroscopy (VCD) are the primary experimental techniques used, but more recently other techniques such as ECD and NMR were incorporated, and most recently Raman Optical Activity (ROA) spectroscopy was added to the portfolio. Specific research lines:

  • IR and Raman studies of weak intermolecular interactions (hydrogen bonding, halogen bonding, …) observed in cryogenic solutions
  • Analysis of stereochemistry of small molecules using a combined approach involving the chiroptical methods VCD, ROA, ECD and ORD.
  • Development of new models based on quantum chemical calculations and Molecular Dynamics simulations to accurately predict spectroscopic properties of conformationally flexible molecules and molecules strongly perturbed by solute-solvent interactions.
  • Analysis of peptides and other biomolecules with ROA and, to a lesser extent VCD and ECD.