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

Elena Khomenko
Affiliation: 
Cherkasy State Technological University 460, Shevchenka Blvd., 18006 Cherkasy, Ukraine; homenko@uch.net
DOI: 
https://doi.org/10.23939/chcht08.02.117
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Keywords:

Abstract: 
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).
References: 

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