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

Boris Minaev; Ramon S da Silva; Olexander Panchenko; Hans Ågren

doi:10.1063/5.0136465

Prediction of new spin-forbidden transitions in the N₂ molecule-the electric dipole A'⁵Σ_g ⁺ → A³Σ_u ⁺ and magnetic dipole a'¹Σ_u ^-← A³Σ_u ⁺ transitions

J Chem Phys. 2023 Feb 28;158(8):084304. doi: 10.1063/5.0136465.

Authors

Boris Minaev¹, Ramon S da Silva², Olexander Panchenko¹, Hans Ågren³

Affiliations

¹ Department of Chemistry and Nanomaterial Sciences, The Bohdan Khmelnytsky National University, Cherkasy, Ukraine.
² Departamento de Física, Universidade Federal de Juiz de Fora, Juiz de Fora, MG, Brazil.
³ Department of Physics and Astronomy, Uppsala University, Uppsala, Sweden.

PMID: 36859101
DOI: 10.1063/5.0136465

Abstract

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'⁵Σ_g ⁺ → A³Σ_u ⁺ emission system and the magnetic dipole a'¹Σ_u ^- ← A³Σ_u ⁺ transition. The radiative lifetime of the lowest A'⁵Σ_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.