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A detailed characterization of the interaction between the most abundantmolecules in air is important for the understanding of a variety of phenomenain atmospherical science. A completely {\em ab initio} global potential energysurface (PES) for the O$_2(^3\Sigma^-_g)$ + N$_2(^1\Sigma^+_g)$ interaction isreported for the first time. It has been obtained with the symmetry-adaptedperturbation theory utilizing a density functional description of monomers[SAPT(DFT)] extended to treat the interaction involving high-spin open-shellcomplexes. The computed interaction energies of the complex are in a goodagreement with those obtained by using the spin-restricted coupled clustermethodology with singles, doubles and noniterative triple excitations[RCCSD(T)]. A spherical harmonics expansion containing a large number of termsdue to the anisotropy of the interaction has been built from the {\em abinitio} data. The radial coefficients of the expansion are matched in the longrange with the analytical functions based on the recent {\em ab initio}calculations of the electric properties of the monomers [M. Bartolomei et al.,J. Comp. Chem., {\bf 32}, 279 (2011)]. The PES is tested against the secondvirial coefficient $B(T)$ data and the integral cross sections measured withrotationally hot effusive beams, leading in both cases to a very goodagreement. The first bound states of the complex have been computed andrelevant spectroscopic features of the interacting complex are reported. Acomparison with a previous experimentally derived PES is also provided.

the journal of physical chemistry. a/the journal of physical chemistry. a.

Global potential energy surface for the O2 + N2 interaction.  Applications to the collisional, spectroscopic, and thermodynamic properties  of the complex