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. Sedivcova
Primo
;
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.
CO2+; Complex-scaling; Radiative lifetimes; Transition probabilities
15-nov-2007
Article (author)
File in questo prodotto:
Non ci sono file associati a questo prodotto.
Pubblicazioni consigliate

I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.

Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/2434/36009
Citazioni
  • ???jsp.display-item.citation.pmc??? ND
  • Scopus 6
  • ???jsp.display-item.citation.isi??? 6
social impact