Oxa-bicyclocalixarenes:: A new cage for anions via C-H•••anion hydrogen bonds and Anion•••π interactions

Density functional theory calculations indicate that the cage molecule 4 can trap F- in the gas phase (-80.5 kcal/mol) as well as in CH2Cl2 (-14.7 kcal/mol) via strong C-H center dot center dot center dot F- hydrogen bonds and pi center dot center dot center dot F- interaction.