Al–~N2) x Van der Waals complexes have recently been produced in molecular beam experiments and studied with threshold laser photoionization.1 The ionization potential measured for the Al–N2 complex (46 821 cm21 ), combined with Al atom ionization potential (48 279 cm21 ) and Al1–N2 dissociation energy measured by Bouchard and McMahon (19246175 cm21 ) 2 leads to the estimation of the Al–N2 complex binding energy at 4666175 cm21 ~Ref. 1!. The purpose of our study is to estimate the Al–N2 and Al1–N2 binding energies using theoretical calculations and to compare them with the experimental results.