Spin-Orbit Coupling Effects in BrO- and HOBr Photodissociation Reactions

Authors:

Elena Khomenko

Potential energy curves of the ground and a few excited states of the BrO- and HOBr along the photodissociation reactions, which correlate with lower dissociation limits are obtained on the base of calculations results by ab initio method. The singlet-triplet nonadiabatic transition with dissociation of the ground Х1+ state to lower limit О(3Р) + Br-(1S) is predicted on the basis of calculations results. The ground singlet Х1+ state of the BrO- has predissociative and metastable character for the upper vibrational levels. It is shown that the singlet-triplet transition to the lower triplet state a3AX1A is responsible for a weak HOBr absorption in the visible region (440–650 nm).

photodissociation

singlet-triplet transition

spin-orbit coupling

absorption bands

spectrum

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