Prediction of new spin-forbidden transitions in the N2 molecule-the electric dipole A5g+ A3u+ and magnetic dipole a1u- A3u+ transitions

JOURNAL OF CHEMICAL PHYSICS(2023)

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摘要
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 N-2 molecule: the electric dipole A '(5)Sigma(+)(g) -> A(3)Sigma(+)(u) emission system and the magnetic dipole a '(1)Sigma(-)(u) <- A(3)Sigma(+)(u) transition. The radiative lifetime of the lowest A '(5)Sigma(+)(g) 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.
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