Publicaties
The halogen bond in weakly bonded complexes and the consequences for aromaticity and spin-orbit coupling Universiteit Gent Vrije Universiteit Brussel Universiteit Antwerpen
Parametrization of halogen bonds in the CHARMM general force field: Improved treatment of ligand-protein interactions Vrije Universiteit Brussel
Halogen bonds, hydrogen bonds and beyond Universiteit Antwerpen
Halogen bonds, hydrogen bonds and beyond: A cryospectroscopic study into competitive noncovalent interactions Vrije Universiteit Brussel
A Combined Experimental/Quantum-Chemical Study of Tetrel, Pnictogen, and Chalcogen Bonds of Linear Triatomic Molecules Vrije Universiteit Brussel Universiteit Antwerpen
Linear triatomic molecules (CO2, N2 O, and OCS) are scrutinized for their propensity to form perpendicular tetrel (CO2 and OCS) or pnictogen (N2 O) bonds with Lewis bases (dimethyl ether and trimethyl amine) as compared with their tendency to form end-on chalcogen bonds. Comparison of the IR spectra of the complexes with the corresponding monomers in cryogenic solutions in liquid argon enables to determine the stoichiometry and the nature of ...
Taking the halogen bonding-hydrogen bonding competition one step further: Complexes of difluoroiodomethane with trimethylphosphine, dimethyl sulfide and chloromethane Vrije Universiteit Brussel Universiteit Antwerpen
To rationalize the driving factors in the competition of halogen bonding and hydrogen bonding, the complexes of the combined halogen-/hydrogen-bond donor difluoroiodomethane with the Lewis bases trimethylphosphine, dimethyl sulfide and chloromethane are studied. For all Lewis bases, ab initio calculations lead to halogen- and hydrogen-bonded complexes. Fourier transform-IR experiments involving solutions of mixtures of difluoroiodomethane ...