The N2-N2 system:: An experimental potential energy surface and calculated rotovibrational levels of the molecular nitrogen dimer

An accurate new representation for the potential energy surface for the N-2-N-2 dimer has been obtained from the analysis of scattering experiments from our laboratory, and of available second virial coefficient data. A harmonic expansion functional form describes the salient geometries of the dimer and accounts for the relative contributions to the intermolecular interaction from components of different nature. The equilibrium geometry is a T conformation with well depth 13.3 meV (107.14 cm(-1)) and at a distance of 4.03 A. In order to assist in the analysis of spectra, we calculated the bound rotovibrational states for the (N-2)(2) system for Jless than or equal to6 by solving a secular problem over the exact Hamiltonian, considering the N-2 monomers as rigid rotors, and where the Coriolis coupling is included. (C) 2002 American Institute of Physics.