화학공학소재연구정보센터
Journal of Chemical Physics, Vol.110, No.24, 11835-11840, 1999
Quartet and sextet states of CS-
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.