Quartet and sextet states of CS-

M. Hochlaf (1) , Gilberte Chambaud , P. Rosmus , T. Andersen , H. J. Werner

1 LCT - Laboratoire de Chimie Théorique

The potential energy and spin-orbit functions have been calculated for several electronic states of CS and CS-. Comparison with experimental data for CS shows very good agreement, making reliable predictions possible for the CS- molecule such as the existence of long-lived metastable states. The a (4)Sigma(-), b (4)Pi, and a (6)Pi states were found to lie energetically below the triplet or quintet states of the CS molecule. The calculated spin-orbit integrals between the electronic states suggest that the depletion of the J=5/2 or 7/2 components in the Pi states will mainly occur via weak interactions with the electron continuum wave. (C) 1999 American Institute of Physics. [S0021-9606(99)31424-0].

Domaines: Physique Classique [physics.class-ph]

M. Hochlaf, Gilberte Chambaud, P. Rosmus, T. Andersen, H. J. Werner. Quartet and sextet states of CS-. Journal of Chemical Physics, 1999, 110 (24), pp.11835--11840. ⟨10.1063/1.479125⟩. ⟨hal-00693965⟩