The structure and vibrational frequencies of the ArHN2+ complex

The ArHN2+ ion has been studied using correlated ab initio methods. Geometric structures, vibration frequencies and intensities have been computed using the MP2 method and large basis sets. The cluster is linear with the structure ArHNN and ArN distance of 1.835 Å. The complex is bound by approximately 3000 and 13000 cm−1 with respect to dissociation to Ar + HN2+ and ArH+ + N2, respectively. The most intense infrared transition is expected to be the HN stretch around 2330 cm−1.