Long-lived high-spin states of CO2-: loosely bound complexes between C-and O2
Andreas Dreuw, Lorenz S. Cederbaum
Motivated by the experimental observation of a long-lived CO 2 - state, we have investigated several sextet states of this species. In analogy to recent results for long-lived sextet states of CO - , we focus on long-range minima of the sextet ground state 6 A 1 of CO 2 - . We have found two minimum geometries at very long internuclear distances, which can be explained as loosely bound complexes between a C - ion and an oxygen molecule in their respective ground states. Both long-range isomers of the 6 A 1 state are stable with respect to single-electron emission and dissociation. Since all other decay channels are spin forbidden, these species are long lived.
Journal of Physics B Atomic Molecular and Optical Physics•Nov 18, 1999•8 citations