A theoretical investigation on the nature of Cl⋯N and Br⋯N halogen bonds in FArX⋯NCY complexes (X = Cl, Br and Y = H, F, Cl, Br, OH, NH2, CH3 and CN)

► The relationship between interaction energies and nitrogen VS,min values. ► Electrostatic nature of Cl⋯N and Br⋯N halogen bonds. ► The magnitude of a negative nitrogen potential depends upon the electron-withdrawing/donating power of the Y.