Radiative transition probabilities of CO2+

Abstract

AbstractRadiative transition probabilities (Einstein A coefficients), Franck‐Condon factors, and radiative lifetimes have been determined for the X3Π, 3Σ−, a1Σ+, 1Π, c1 Δ, and A3Σ+ states of the CO2+ dication using ab initio potential energy, spin‐orbit coupling, electric dipole and electronic transition moment functions, and the standard complex‐scaling method. The calculated radiative lifetimes of the upper electronic states of the spin‐allowed A3Σ+–X3Π and b1Π–a1Σ+ transitions are generally longer than their predissociating lifetimes, explaining thus the failure of the attempts made so far to observe CO2+ in the optical spectral region in a convincing fashion. © 2007 Wiley Periodicals, Inc. Int J Quantum Chem, 2007