THEORETICAL-STUDY OF THE PHOTODETACHMENT OF OHCL-

The Born-Oppenheimer type separation between light and heavy nuclear m otions is used to calculate the OHCl- photodetachment spectrum. The sc attering wavefunction related to the dissociation of OHCl is obtained either as a multi-state expansion or as a single product of two wavefu nctions that describe the light and heavy nuclear motions. The conside red OHCl potential energy surfaces, a LEPS and a fitted ab initio surf ace, lead to different photodetachment spectra. However, comparison wi th experiment does not allow a choice of the better surface. Peaks in the spectrum are assigned to direct (resonance-free) transitions to hi ndered rotor states of the OH(v = 0, 1) molecule. (C) 1997 Elsevier Sc ience B.V.