Investigations of electronic transitions and photodissociation of the bromine molecule

The electronic transitions and photodissociation of the bromine molecule were studied in the visible-near UV continuum using dynamic simulation. The molar extinction coefficients in this study were obtained in numerical calculations. The quantum yields of the spin-orbit Br*(² P _1/2) product at different photon frequencies were determined. Time-dependent density functional theory was used to analyze the highest five occupied and lowest five unoccupied Br₂ orbitals. The transition to the ¹Π _u state was found to be most probable in the visible-near UV absorption range.