Université Paul Sabatier - Bat. 3R1b4 - 118 route de Narbonne 31062 Toulouse Cedex 09, France


Accueil > Publications > Publications par année > Année 2002

State resolved ArHBr photodissociation quantum dynamics

We report quantum dynamical calculations on the photodissociation process : ArHBr + hnu—>H + ArBr or Ar + Br + H. Jacobi coordinates associated with the product arrangement H + ArBr have been used as well as a pseudospectral wave packet propagation method. The radial singularity at the origin is either analytically lifted with a discrete Bessel transform approach, or treated within a sine transform strategy. The relative fraction of a bound ArBr product state is high (of the order of 50%) and decreases with energy. Product vibrational populations decrease with vibrational energies. Rotational distributions show oscillatory patterns characteristic of rotational rainbows, whereas angular distributions have maxima at rainbow angles.

doi:10.1063/1.1514213

Voir en ligne : J. Chem. Phys. 117, 8676 (2002)