Interactions and Collision Dynamics in O2 + O2
We review the interaction between molecular oxygen molecules involving the X3Σ g − , a1Δ g and b1Σ g + states. The long radiative lifetimes of the excited electronic states imply that collision-induced energy transfer becomes a key mechanism to understand their role in a variety of physical and chemical processes ranging from photochemistry to nanocrystals. However, due to the open shell nature of these molecules and their weak intermolecular interactions, it is no easy to deal with problems involving these molecules both from the electronic structure calculation and from the dynamical or structural point of view. We will focus on several models recently developed in order to understand the outcome of recent experiments and observations for which the energy transfer between several electronic states play an important role as well as in the determination of accurate (rigid) full dimensional potentials of the dimer for the three lowest singlet, triplet and quintet states, where recent experiments and derived potential energy surface put ab initio theory on its edge.
KeywordsOxygen dimer spin-orbit coupling non-adiabatic couplings atmospheric chemistry weakly bound complexes
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