Long-range interactions in the ozone molecule: Spectroscopic and dynamical points of view

Using the multipolar expansion of the electrostatic energy, we characterized the asymptotic interactions between an oxygen atom O((3)P) and an oxygen molecule O(2)((3)Σ(g)(-)), both in their electronic ground state. We calculated the interaction energy induced by the permanent electric quadrupoles of O and O(2) and the van der Waals energy. On one hand, we determined the 27 electronic potential energy surfaces including spin-orbit connected to the O((3)P) + O(2)((3)Σ(g)(-)) dissociation limit of the O-O(2) complex. On the other hand, we computed the potential energy curves characterizing the interaction between O((3)P) and a rotating O(2)((3)Σ(g)(-)) molecule in its lowest vibrational level. Such curves are found adiabatic to a good approximation, namely, they are only weakly coupled to each other. These results represent a first step for modeling the spectroscopy of ozone bound levels close to the dissociation limit, as well as the low energy collisions between O and O(2) thus complementing the knowledge relevant for the ozone formation mechanism.