Photodissociation of DCO+ through its 1 1Π state: an ab initio study

Photodissociation of DCO+ through its 1 1Π state is studied by ab initio calculations. This state is the lowest dissociative electronic state of DCO+ to which transitions are dipole-allowed. The 1 1Π state is also of more general interest to molecular dynamics because of an avoided crossing with the 2 1Π state. Total and vibrationally resolved partial cross sections are calculated as functions of excitation energy. The vibrational resonance structure of the total and partial cross sections is analyzed in terms of linear stretching vibrational motion. The results are compared to those for HCO+.