Prediction of a predissociation in the A2Σ+of HCl+and DCl+
- 1 July 1973
- journal article
- Published by IOP Publishing in Journal of Physics B: Atomic and Molecular Physics
- Vol. 6 (7), 1301-1307
- https://doi.org/10.1088/0022-3700/6/7/024
Abstract
Self-consistent field calculations have been made of the potential energy curves for three states of HCl+, using a basis set believed to give energies very close to the Hartree- Fock limit. The curve for the 4 Pi state, dissociating to H(2S) and Cl+(3P), crosses that of A2 Sigma + state. Since these states may interact by spin-orbit coupling, a predissociation may occur in the A2 Sigma + state. Calculations of the magnitude of this effect for both HCl+ and DCl+ gives results compatible with observed emission and photoelectron spectra.Keywords
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