C-H⋯O/N hydrogen bonded complexes of FKrCCH are stronger than FCCH complexes: Effect of rare gas insertion

► C-H⋯O/N hydrogen bonding ability of rare gas inserted molecules. ► Strength of the hydrogen bonds formed by rare gas inserted molecule FKrCCH is stronger than the parent molecule FCCH. ► Deprotonation energy of FKrCCH is less than FCCH. ► Increased acidity of the CH proton due to insertion of the Kr atom.