Understanding Halogen Bonding in Solution
Halogen bonding is an electron density donation-based weak interaction that has so far mostly been investigated in computational and crystallographic studies.
We examine halogen bonding formed in solution environment employing a novel, exceedingly accurate NMR methodology. Using a combination of spectroscopic and computational techniques the energetics of halogen bonds and the role of electrostatic and non-electrostatic effects in the interaction will be studied. Variation of bond length and symmetry as well as their relevance in inter- and intramolecular interactions are being elucidated.
The gained knowledge will be applied to understand the impact of halogen bonding in biological systems, such as protein-ligand and lipide-ligand interactions as well as used to develop new applications of halogen bonding in organic, analytical and pharmaceutical chemistry.