A 3-DIMENSIONAL STUDY OF THE CL-H-CL DYNAMICS USING THE LIGHT-HEAVY NUCLEUS BORN-OPPENHEIMER SEPARATION

Citation
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
Citations number
26
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
ISSN journal
00092614
Volume
228
Issue
1-3
Year of publication
1994
Pages
207 - 212
Database
ISI
SICI code
0009-2614(1994)228:1-3<207:A3SOTC>2.0.ZU;2-V
Abstract
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.