Abstract
Rovibronic, vibronic and electronic correlation diagrams are constructed for the following reactions: X 3Σ g −(O 2) · X 3Σ g −(O 2) ⇌ {X 1Ag(O 4), a 3B 2u(O 4), b 5Ag(O 4)}; X 3· g −(O 2) · a 1Σ g +(O 2 ⇌ {g 3B 1g(O 4), h 3B 3u(O 4)}; b 1Δ g(O 2) · b 1Δ g(O 2) ⇌ {A 1Ag(O 4), B 1B 1g(O 4), C 1B 3u(O 4), D 1Ag(O 4)}. The correlations are for an assumed rectangular D 2h dimer conformation with the B 2u vibration excited up to the ν = 3 state and with the rotations excited up to the j = 3 state. Approximate values of the vibronic energy levels, for both sides of the reactions, are presented. A peculiarity of the system due to the zero nuclear spin of the oxygen atom is pointed out. The possibility of level crossings due to orbit—rotation, spin—rotation and orbit—vibration interactions is discussed.
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