Cation-π versus anion-π interactions: A theoretical NMR study

► The NMR data are strongly influenced by the 1,3,5-trifluorobenzene−ion interactions. ► Cation−π interaction increases 1JC−F and 1JC−H while it decreases 1JC−C. ► Cation−π interaction increases the chemical shifts of the hydrogen and fluorine atoms. ► The changes are in reverse direction in the presence of anion−π interaction.