ArI2(X)-> Ar+I-2(B) photodissociation: Comparison between linear and T-shaped isomers dynamics

Quantum dynamical calculations on ArI2 photodissociation have been performe d using ab initio and semi-empirical potential energy surfaces, which suppo rt both linear and T-shaped isomers in the ground electronic state. Whereas the photon absorption spectra for the T-shaped isomer consist of narrow an d intense bands, those for the linear isomer result from the superposition of a continuous background and peaks due to linear quasi-bound states. Vibr ational distributions for the linear isomer are broader than those originat ing from the T-shaped one. Rotational distributions for the linear isomer a re smooth and characteristic of a fast dissociation dynamics, whereas those for the T-shaped isomer are highly oscillatory. Implications of these resu lts on the interpretation of experimental data are discussed. (C) 2001 Amer ican Institute of Physics.