Perturbations in the A 1Π- X 1Σ+ system of the BeS molecule. The a 3Π i state
Identifieur interne : 004073 ( Main/Exploration ); précédent : 004072; suivant : 004074Perturbations in the A 1Π- X 1Σ+ system of the BeS molecule. The a 3Π i state
Auteurs : B. Pouilly [France] ; J. M. Robbe [France] ; J. Schamps [France] ; R. W. Field [États-Unis] ; L. Young [États-Unis]Source :
- Journal of Molecular Spectroscopy [ 0022-2852 ] ; 1982.
Abstract
The states responsible for all perturbations observed by Cheetham et al. [Trans. Faraday Soc. 61, 1308–1316 (1965)] in the BeS A1Π-X1Σ+ system were electronically (a3Π2, a3Π1, and X1Σ+) and vibrationally assigned. Cheetham et al. had incorrectly suggested that perturbations presently assigned as A1Π(vA) ∼ a3Π2(va = vA + 2) were A1Π ∼ 1Δ. Molecular constants for the newly identified a3Πi state, which is the lowest energy excited state of BeS, as well as electronic parameters for A ∼ X, A ∼ a, and a ∼ X interactions were determined. Principal constants (in cm−1) for A1Π and a3Π are a3Π A1Π Te 7 100 (75) 7 961.64 (26) ωe 737 (5) 762.13 (7) ωeχe 4.1 (2) 4.09 (4) re(A ̊) 1.9190 (10) 1.9087 (2) (1σ uncertainties in parentheses). A coherent picture of the perturbations in A1Π could be drawn only by combining fragmentary spectroscopic data from Cheetham et al. with new ab initio calculations of spin-orbit and rotation-electronic perturbation parameters, spin-orbit splittings, and energy separations of isoconfigurational a3Π and A1Π states.
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DOI: 10.1016/0022-2852(82)90213-2
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The a 3Π i state</title><author><name sortKey="Pouilly, B" sort="Pouilly, B" uniqKey="Pouilly B" first="B." last="Pouilly">B. Pouilly</name><affiliation wicri:level="3"><country xml:lang="fr">France</country><wicri:regionArea>Laboratoire de Spectroscopie des Molécules Diatomiques, ERA 303, Université des Sciences et Techniques de Lille, Bât. P5, 59655 Villeneuve D'Ascq</wicri:regionArea><placeName><region type="region" nuts="2">Nord-Pas-de-Calais-Picardie</region><region type="old region" nuts="2">Nord-Pas-de-Calais</region><settlement type="city">Villeneuve D'Ascq</settlement></placeName></affiliation></author><author><name sortKey="Robbe, J M" sort="Robbe, J M" uniqKey="Robbe J" first="J. M." last="Robbe">J. M. Robbe</name><affiliation wicri:level="3"><country xml:lang="fr">France</country><wicri:regionArea>Laboratoire de Spectroscopie des Molécules Diatomiques, ERA 303, Université des Sciences et Techniques de Lille, Bât. P5, 59655 Villeneuve D'Ascq</wicri:regionArea><placeName><region type="region" nuts="2">Nord-Pas-de-Calais-Picardie</region><region type="old region" nuts="2">Nord-Pas-de-Calais</region><settlement type="city">Villeneuve D'Ascq</settlement></placeName></affiliation></author><author><name sortKey="Schamps, J" sort="Schamps, J" uniqKey="Schamps J" first="J." last="Schamps">J. Schamps</name><affiliation wicri:level="3"><country xml:lang="fr">France</country><wicri:regionArea>Laboratoire de Spectroscopie des Molécules Diatomiques, ERA 303, Université des Sciences et Techniques de Lille, Bât. P5, 59655 Villeneuve D'Ascq</wicri:regionArea><placeName><region type="region" nuts="2">Nord-Pas-de-Calais-Picardie</region><region type="old region" nuts="2">Nord-Pas-de-Calais</region><settlement type="city">Villeneuve D'Ascq</settlement></placeName></affiliation></author><author><name sortKey="Field, R W" sort="Field, R W" uniqKey="Field R" first="R. W." last="Field">R. W. Field</name><affiliation wicri:level="2"><country xml:lang="fr">États-Unis</country><placeName><region type="state">Massachusetts</region></placeName><wicri:cityArea>Department of Chemistry, Massachusetts Institute of Technology, Cambridge</wicri:cityArea></affiliation></author><author><name sortKey="Young, L" sort="Young, L" uniqKey="Young L" first="L." last="Young">L. Young</name><affiliation wicri:level="2"><country xml:lang="fr">États-Unis</country><placeName><region type="state">Massachusetts</region></placeName><wicri:cityArea>Department of Chemistry, Massachusetts Institute of Technology, Cambridge</wicri:cityArea></affiliation></author></analytic><monogr></monogr><series><title level="j">Journal of Molecular Spectroscopy</title><title level="j" type="abbrev">YJMSP</title><idno type="ISSN">0022-2852</idno><imprint><publisher>ELSEVIER</publisher><date type="published" when="1982">1982</date><biblScope unit="volume">96</biblScope><biblScope unit="issue">1</biblScope><biblScope unit="page" from="1">1</biblScope><biblScope unit="page" to="55">55</biblScope></imprint><idno type="ISSN">0022-2852</idno></series><idno type="istex">BF5B42659AAD2F26650D08E60AED2EB337890352</idno><idno type="DOI">10.1016/0022-2852(82)90213-2</idno><idno type="PII">0022-2852(82)90213-2</idno></biblStruct></sourceDesc><seriesStmt><idno type="ISSN">0022-2852</idno></seriesStmt></fileDesc><profileDesc><textClass></textClass><langUsage><language ident="en">en</language></langUsage></profileDesc></teiHeader><front><div type="abstract" xml:lang="en">The states responsible for all perturbations observed by Cheetham et al. [Trans. Faraday Soc. 61, 1308–1316 (1965)] in the BeS A1Π-X1Σ+ system were electronically (a3Π2, a3Π1, and X1Σ+) and vibrationally assigned. Cheetham et al. had incorrectly suggested that perturbations presently assigned as A1Π(vA) ∼ a3Π2(va = vA + 2) were A1Π ∼ 1Δ. Molecular constants for the newly identified a3Πi state, which is the lowest energy excited state of BeS, as well as electronic parameters for A ∼ X, A ∼ a, and a ∼ X interactions were determined. Principal constants (in cm−1) for A1Π and a3Π are a3Π A1Π Te 7 100 (75) 7 961.64 (26) ωe 737 (5) 762.13 (7) ωeχe 4.1 (2) 4.09 (4) re(A ̊) 1.9190 (10) 1.9087 (2) (1σ uncertainties in parentheses). A coherent picture of the perturbations in A1Π could be drawn only by combining fragmentary spectroscopic data from Cheetham et al. with new ab initio calculations of spin-orbit and rotation-electronic perturbation parameters, spin-orbit splittings, and energy separations of isoconfigurational a3Π and A1Π states.</div></front></TEI><affiliations><list><country><li>France</li><li>États-Unis</li></country><region><li>Massachusetts</li><li>Nord-Pas-de-Calais</li><li>Nord-Pas-de-Calais-Picardie</li></region><settlement><li>Villeneuve D'Ascq</li></settlement></list><tree><country name="France"><region name="Nord-Pas-de-Calais-Picardie"><name sortKey="Pouilly, B" sort="Pouilly, B" uniqKey="Pouilly B" first="B." last="Pouilly">B. Pouilly</name></region><name sortKey="Robbe, J M" sort="Robbe, J M" uniqKey="Robbe J" first="J. M." last="Robbe">J. M. Robbe</name><name sortKey="Schamps, J" sort="Schamps, J" uniqKey="Schamps J" first="J." last="Schamps">J. Schamps</name></country><country name="États-Unis"><region name="Massachusetts"><name sortKey="Field, R W" sort="Field, R W" uniqKey="Field R" first="R. W." last="Field">R. W. Field</name></region><name sortKey="Young, L" sort="Young, L" uniqKey="Young L" first="L." last="Young">L. Young</name></country></tree></affiliations></record>Pour manipuler ce document sous Unix (Dilib)
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