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

“…In view of the importance of the S−T transitions for the spectrum and reactivity of ozone and considering possible participation of the triplet states in HOCl and HOBr dissociation processes [14][15][16]19], we conclude that the triplet state of halogen-containing compounds must play an important role in the photocatalytic ozone depletion in stratosphere. The results show that photodissociation processes of halogen-containing compounds depend essentially on the singlet-triplet transitions and account of spin-orbit coupling effects.…”

“…Since reaction (3) is the rate-determining steps of the chain, an accurate determination of the ultra-violet-visible (UV-vis) absorption cross section of the HOBr molecule is necessary for assessing the role of the HOBr molecule in the photochemical reaction cycles (1-5) in the atmosphere. That is why the UV-vis absorption spectrum of HOBr molecule has been the subject of many experimental [3,12,13] and theoretical [9,[14][15][16] studies. Spectroscopic data on hypobromous acid are sparse, although studies by Orlando and Burkholder [17] and by Barnes et al [8] have provided accurate measurements of its absorption in the near-UV and visible regions.…”