Resonant Ionic, Covalent Bond, and Steric Characteristics Present in (1)Σ(u)(+) States of Li(2)

The molecular bonding in the excited states of the alkali dimers involves the resonant ionic, covalent bond and steric interactions. We show here the case of the (1)Σ(u)(+) states of Li(2) by ab initio calculation. These interactions as functions of the internuclear distance lead to complex potentia...

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Autores principales: Ahn Furudate, Michiko, Hagebaum-Reignier, Denis, Kim, Jin-Tae, Jeung, Gwang-Hi
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9182501/
https://www.ncbi.nlm.nih.gov/pubmed/35684453
http://dx.doi.org/10.3390/molecules27113514
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author Ahn Furudate, Michiko
Hagebaum-Reignier, Denis
Kim, Jin-Tae
Jeung, Gwang-Hi
author_facet Ahn Furudate, Michiko
Hagebaum-Reignier, Denis
Kim, Jin-Tae
Jeung, Gwang-Hi
author_sort Ahn Furudate, Michiko
collection PubMed
description The molecular bonding in the excited states of the alkali dimers involves the resonant ionic, covalent bond and steric interactions. We show here the case of the (1)Σ(u)(+) states of Li(2) by ab initio calculation. These interactions as functions of the internuclear distance lead to complex potential energy curves, providing an important application for high resolution laser spectroscopy. The spectroscopic constants for the 4 and 5 (1)Σ(u)(+) states are obtained for the first time.
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spelling pubmed-91825012022-06-10 Resonant Ionic, Covalent Bond, and Steric Characteristics Present in (1)Σ(u)(+) States of Li(2) Ahn Furudate, Michiko Hagebaum-Reignier, Denis Kim, Jin-Tae Jeung, Gwang-Hi Molecules Article The molecular bonding in the excited states of the alkali dimers involves the resonant ionic, covalent bond and steric interactions. We show here the case of the (1)Σ(u)(+) states of Li(2) by ab initio calculation. These interactions as functions of the internuclear distance lead to complex potential energy curves, providing an important application for high resolution laser spectroscopy. The spectroscopic constants for the 4 and 5 (1)Σ(u)(+) states are obtained for the first time. MDPI 2022-05-30 /pmc/articles/PMC9182501/ /pubmed/35684453 http://dx.doi.org/10.3390/molecules27113514 Text en © 2022 by the authors. https://creativecommons.org/licenses/by/4.0/Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).
spellingShingle Article
Ahn Furudate, Michiko
Hagebaum-Reignier, Denis
Kim, Jin-Tae
Jeung, Gwang-Hi
Resonant Ionic, Covalent Bond, and Steric Characteristics Present in (1)Σ(u)(+) States of Li(2)
title Resonant Ionic, Covalent Bond, and Steric Characteristics Present in (1)Σ(u)(+) States of Li(2)
title_full Resonant Ionic, Covalent Bond, and Steric Characteristics Present in (1)Σ(u)(+) States of Li(2)
title_fullStr Resonant Ionic, Covalent Bond, and Steric Characteristics Present in (1)Σ(u)(+) States of Li(2)
title_full_unstemmed Resonant Ionic, Covalent Bond, and Steric Characteristics Present in (1)Σ(u)(+) States of Li(2)
title_short Resonant Ionic, Covalent Bond, and Steric Characteristics Present in (1)Σ(u)(+) States of Li(2)
title_sort resonant ionic, covalent bond, and steric characteristics present in (1)σ(u)(+) states of li(2)
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9182501/
https://www.ncbi.nlm.nih.gov/pubmed/35684453
http://dx.doi.org/10.3390/molecules27113514
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