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

Using the multipolar expansion of the electrostatic energy, we have characterized the asymptotic interactions between an oxygen atom O${(}^{3}P)$ and an oxygen molecule O${}_2{(}^3{\mathrm{\Sigma }}_g^{-})$, both in their electronic ground state. We have 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${}_2{(}^3{\mathrm{\Sigma }}_g^{-})$ 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 O${}_2{(}^3{\mathrm{\Sigma }}_g^{-})$ molecule in its lowest vibrational level and in a low rotational 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.