Theoretical study of (FH2X)n·Y (X = P and As, n = 1-4, Y = F−, Cl−, Br−, I−, NO3− and SO42−): The possibility of anion recognition based on pnicogen bonding

- The anion-binding ability of FH2As is stronger than that of FH2P.
- The binding strength is in the sequence of SO42− > F− > Cl− > NO3− > Br− > I−.
- The anion-binding strength of pnicogen bonding is comparable to that of hydrogen and halogen bonding.
- The anion-binding ability of pnicogen bonding can be strengthened through multiple receptor-anion interactions.