The photodissociation of FNO in the S1 state: Three-dimensional calculation on a new potential energy surface

Abstract

We present three-dimensional wave packet calculations for the photodissociation of FNO in the first excited singlet state S1 using a new ab initio potential surface. While the calculated absorption spectrum agrees satisfactorily with the measured spectrum, the energy dependence of the partial cross sections for particular NO product states is only in fair agreement with experiment. The same is true for the vibrational and rotational state distributions of NO for selected energies. Because of the interference between direct and indirect dissociation, details of the cross sections are highly sensitive to subtleties of the potential surface. Altogether, the new calculation reproduces the available experimental data more satisfactorily than a previous one.