Triplet state harvesting and search for forbidden transition intensity in the nitrogen molecule
Triplet excited states of the N2 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 photo...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
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Frontiers Media S.A.
2022-10-01
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| Series: | Frontiers in Chemistry |
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| Online Access: | https://www.frontiersin.org/articles/10.3389/fchem.2022.1005684/full |
| _version_ | 1811251534970748928 |
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| author | B. F Minaev B. F Minaev O. O Panchenko V. A Minaeva H Ågren |
| author_facet | B. F Minaev B. F Minaev O. O Panchenko V. A Minaeva H Ågren |
| author_sort | B. F Minaev |
| collection | DOAJ |
| description | Triplet excited states of the N2 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 13Σg−← A3Σu+ band, which is strongly prohibited by the (+|−) selection rule, the new spin-induced magnetic B′3Σu−← A3Σu+ transition, magnetic and electric quadrupole transitions for the B3Πg← X1Σg+ Wilkinson band, and the Lyman–Birge–Hopfield a1Πg ← X1Σg transition. Also, two other far-UV singlet–singlet quadrupole transitions are calculated for the first time, namely, the Dressler–Lutz a"1Σg+–X1Σg+ and the less studied z1Δg–X1Σg+ weak transitions. |
| first_indexed | 2024-04-12T16:21:49Z |
| format | Article |
| id | doaj.art-5dd5d7c7970645f18a55b75ec16826c2 |
| institution | Directory Open Access Journal |
| issn | 2296-2646 |
| language | English |
| last_indexed | 2024-04-12T16:21:49Z |
| publishDate | 2022-10-01 |
| publisher | Frontiers Media S.A. |
| record_format | Article |
| series | Frontiers in Chemistry |
| spelling | doaj.art-5dd5d7c7970645f18a55b75ec16826c22022-12-22T03:25:32ZengFrontiers Media S.A.Frontiers in Chemistry2296-26462022-10-011010.3389/fchem.2022.10056841005684Triplet state harvesting and search for forbidden transition intensity in the nitrogen moleculeB. F Minaev0B. F Minaev1O. O Panchenko2V. A Minaeva3H Ågren4Department of chemistry and nanomaterial sciences, Bohdan Khmelnytsky National University, Cherkasy, UkraineDepartment of Physics and Astronomy, Uppsala University, Uppsala, SwedenDepartment of chemistry and nanomaterial sciences, Bohdan Khmelnytsky National University, Cherkasy, UkraineDepartment of chemistry and nanomaterial sciences, Bohdan Khmelnytsky National University, Cherkasy, UkraineDepartment of Physics and Astronomy, Uppsala University, Uppsala, SwedenTriplet excited states of the N2 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 13Σg−← A3Σu+ band, which is strongly prohibited by the (+|−) selection rule, the new spin-induced magnetic B′3Σu−← A3Σu+ transition, magnetic and electric quadrupole transitions for the B3Πg← X1Σg+ Wilkinson band, and the Lyman–Birge–Hopfield a1Πg ← X1Σg transition. Also, two other far-UV singlet–singlet quadrupole transitions are calculated for the first time, namely, the Dressler–Lutz a"1Σg+–X1Σg+ and the less studied z1Δg–X1Σg+ weak transitions.https://www.frontiersin.org/articles/10.3389/fchem.2022.1005684/fulltriplet–singlet transitionsnitrogen moleculeVegard–Kaplan bandWilkinson bandHerzberg I band analog |
| spellingShingle | B. F Minaev B. F Minaev O. O Panchenko V. A Minaeva H Ågren Triplet state harvesting and search for forbidden transition intensity in the nitrogen molecule Frontiers in Chemistry triplet–singlet transitions nitrogen molecule Vegard–Kaplan band Wilkinson band Herzberg I band analog |
| title | Triplet state harvesting and search for forbidden transition intensity in the nitrogen molecule |
| title_full | Triplet state harvesting and search for forbidden transition intensity in the nitrogen molecule |
| title_fullStr | Triplet state harvesting and search for forbidden transition intensity in the nitrogen molecule |
| title_full_unstemmed | Triplet state harvesting and search for forbidden transition intensity in the nitrogen molecule |
| title_short | Triplet state harvesting and search for forbidden transition intensity in the nitrogen molecule |
| title_sort | triplet state harvesting and search for forbidden transition intensity in the nitrogen molecule |
| topic | triplet–singlet transitions nitrogen molecule Vegard–Kaplan band Wilkinson band Herzberg I band analog |
| url | https://www.frontiersin.org/articles/10.3389/fchem.2022.1005684/full |
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