Long-lived high-spin states of CO2-: loosely bound complexes between C- and O-2

Citation
A. Dreuw et Ls. Cederbaum, Long-lived high-spin states of CO2-: loosely bound complexes between C- and O-2, J PHYS B, 32(23), 1999, pp. L665-L672
Citations number
22
Categorie Soggetti
Physics
Journal title
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS
ISSN journal
09534075 → ACNP
Volume
32
Issue
23
Year of publication
1999
Pages
L665 - L672
Database
ISI
SICI code
0953-4075(199912)32:23<L665:LHSOCL>2.0.ZU;2-X
Abstract
Motivated by the experimental observation of a long-lived CO2- state, we ha ve 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 CO2-. We have found two minimum geom etries at very long internuclear distances, which can be explained as loose ly bound complexes between a C- ion and an oxygen molecule in their respect ive 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.