842. Separation efficiency of molecular distillation: J R Maa and S Y Tsay,J Vac Sci Technol, 10 (3), May–June 1973, 472–477.

Abstract

For SiH2+ potential energy functions for the doublet and quartet electronic states resulting from the Si2+y(1S, 3P) + H(2S) and Si+(2P, 4P, 2D) + H+ asymptotes have been calculated using CASSCF-CI electronic wavefunctions. At low collision energies the charge transfer reactions Si2+ + H → Si+ + H+ are found to proceed via avoided crossing regions on the potential energy functions around RSiH = 10 bohr for the doublet states and around RSiH = 8 bohr for the quartet states. No such pathway connecting the metastable Si2+(3P) ion with the electronic ground state of the Si+ ion was found. Spectroscopic constants and radiative transition probabilities for several low lying doublet and quartet states of SiH2+ have been evaluated.