The predissociation linewidths of vibrational levels v=0-12 for16O2,16O18O, and18O2molecules in the B3Σu-state with rotational quantum numbers N≤20 have been calculated taking into account the spin-orbit interactions of the B3Σu-state with the5Πu,3Σu+,3Πu, and1Πustates, and the rotational coupling with the3Πu, state. The predissociation linewidths exhibit systematic variations with rotational quantum number for different vibrational levels. Good agreement between most of the calculated and experimental linewidths has been obtained for all three isotopic molecules, with the exception of the set of linewidths of16O2for v=0 and 2. The agreement can be improved by adjustment of the1Πupotential and the strength of the spin-orbit interaction between the B3Σu-and1Πustates.
ASJC Scopus subject areas
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry