Prediction of new spin-forbidden transitions in the N2 molecule—the electric dipole A′5Σg+ → A3Σu+ and magnetic dipole a′1Σu−← A3Σu+ transitions

On the ground of multi-reference configuration interaction calculations with an account of spin–orbit coupling, we have predicted the probability of two unknown spin-forbidden transitions in the spectrum of the N2 molecule: the electric dipole A′5Σg+ → A3Σu+ emission system and the magnetic dipole a...

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Veröffentlicht in:The Journal of chemical physics 2023-02, Vol.158 (8)
Hauptverfasser: Minaev, Boris, da Silva, Ramon S., Panchenko, Olexander, Ågren, Hans
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Sprache:eng
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Zusammenfassung:On the ground of multi-reference configuration interaction calculations with an account of spin–orbit coupling, we have predicted the probability of two unknown spin-forbidden transitions in the spectrum of the N2 molecule: the electric dipole A′5Σg+ → A3Σu+ emission system and the magnetic dipole a′1Σu− ← A3Σu+ transition. The radiative lifetime of the lowest A′5Σg+ sublevel is less than a microsecond; the magnetic transition induced by the spin current in the triplet state is predicted with relatively low oscillator strength (f = 10−10), which still could be detectable.
ISSN:0021-9606
1089-7690
DOI:10.1063/5.0136465