Triplet state harvesting and search for forbidden transition intensity in the nitrogen molecule

Triplet excited states of the N-2 molecule play an important role in electric discharges through air or liquid nitrogen accompanied by various afterglows. In the rarefied upper atmosphere, they produce aurora borealis and participate in other energy-transfer processes connected with atmospheric phot...

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Bibliographic Details
Published in:Frontiers in Chemistry
Main Authors: Minaev, Boris, Panchenko, O. O., Minaeva, V. A., Ã…gren, Hans
Format: Article in Journal/Newspaper
Language:English
Published: Uppsala universitet, Institutionen för fysik och astronomi 2022
Subjects:
triplet-singlet transitions
nitrogen molecule
Vegard-Kaplan band
Wilkinson band
Herzberg I band analog
Theoretical Chemistry
Teoretisk kemi
aurora borealis
Online Access:http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-489258
https://doi.org/10.3389/fchem.2022.1005684
Description
Summary:Triplet excited states of the N-2 molecule play an important role in electric discharges through air or liquid nitrogen accompanied by various afterglows. In the rarefied upper atmosphere, they produce aurora borealis and participate in other energy-transfer processes connected with atmospheric photochemistry and nightglow. In this work, we present spin-orbit coupling calculations of the intensity of various forbidden transitions, including the prediction of the electric dipole transition moment of the new 1 3 sigma g - & LARR; A 3 sigma u + band, which is strongly prohibited by the (+|-) selection rule, the new spin-induced magnetic B & PRIME; 3 sigma u - & LARR; A 3 sigma u + transition, magnetic and electric quadrupole transitions for the B-3 pi(g) & LARR; X 1 sigma g + Wilkinson band, and the Lyman-Birge-Hopfield a(1)pi(g) & LARR; X-1 sigma(g) transition. Also, two other far-UV singlet-singlet quadrupole transitions are calculated for the first time, namely, the Dressler-Lutz a "(1)sigma(g) (+)-X-1 sigma(g) (+) and the less studied z(1)& UDelta;(g)-X-1 sigma(g) (+) weak transitions.

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