Preview: Forthcoming article in Acta Crystallographica Section B: Structural Science
Forthcoming article in Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials
Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials publishes scientific articles related to the structural science of compounds and materials in the widest sense. Knowledge of the arrangements of atoms, including their
Characterization of fluorine-centered `F⋯O' σ-hole interactions in the solid-state
We report the experimental observation of a `unique' and `rare' F⋯O interaction, involving two electronegative atoms, having the characteristics of `short interatomic distance' and `high directionality' that provide robustness to the crystal packing. The characterization of these F⋯O contacts via different computational procedures establish the interaction to be dispersive in nature and the mutual polarization of an O atom by F and vice versa provides real physical insights into the role of atomic polarizability in interacting atoms in molecules in crystals.