N. Rougeau et C. Kubach, A 3-DIMENSIONAL STUDY OF THE CL-H-CL DYNAMICS USING THE LIGHT-HEAVY NUCLEUS BORN-OPPENHEIMER SEPARATION, Chemical physics letters, 228(1-3), 1994, pp. 207-212
The Born-Oppenheimer type separation between the light and heavy nucle
ar motions is applied to the dynamics of the Cl-H-Cl system. Among the
hydrogenic states which describe the motion of the H atom for clamped
chlorine nuclei, certain specific states are shown to explain the mai
n structures of the photodetachment spectrum of ClHCl-. Three resonanc
es are obtained at scattering energies SE=0.639, 0.899 and 0.932 eV an
d are analyzed in terms of the normal modes of a linear symmetrical tr
iatomic molecule. The calculated photodetachment spectrum is compared
to previous theoretical and experimental data.