Molecular Ions pp 415-418 | Cite as
Ab Initio Calculation of Potential Energy Curves of The CO2+ Ion
Abstract
There are numerous examples in the present volume of experimental determinations of the geometry of positive ions. All of the excited electronic states of the ions however are not necessarily experimentally detectable: the transition is sometimes forbidden by selection rules. However, these “forbidden states” may play an important role, e.g., in predissociation processes. Such a behavior has been recently reported by Eland and Berkowitz [1] in the case of the predissociation of the \( \tilde{C}{{(}^{2}}\sum _{g}^{ + }) \) state of CO2 +. The theoretical determination of the potential energy surfaces for all of the electronic states in the energy range of interest is then of great help in the analysis of the dissociation mechanisms.
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