Investigations of electronic transitions and photodissociation of the bromine molecule

Abstract 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*(2P1/2) product a...
Ausführliche Beschreibung

Abstract 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*(2P1/2) product at different photon frequencies were determined. Time-dependent density functional theory was used to analyze the highest five occupied and lowest five unoccupied $ Br_{2} $ orbitals. The transition to the 1$ Π_{u} $ state was found to be most probable in the visible-near UV absorption range. Ausführliche Beschreibung