Radiative transition probabilities (Einstein A coefficients), Franck-Condon factors, and radiative lifetimes have been determined for the X 3∏, 3Σ-, a1Σ +,1∏, C1Δ, 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 A 3Σ+-X3∏ and b1 ∏-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.
Radiative transition probabilities of CO2+ / T. Sedivcova, P.R. Kapralova-Zdanska, V. Spirko. - In: INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. - ISSN 0020-7608. - 107:14(2007 Nov 15), pp. 2654-2664. [10.1002/qua.21448]
Radiative transition probabilities of CO2+
T. SedivcovaPrimo
;
2007
Abstract
Radiative transition probabilities (Einstein A coefficients), Franck-Condon factors, and radiative lifetimes have been determined for the X 3∏, 3Σ-, a1Σ +,1∏, C1Δ, 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 A 3Σ+-X3∏ and b1 ∏-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.Pubblicazioni consigliate
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