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Theoretical Franck–Condon factors for the H2S(X 1A1,v’=0)→H2S+(X 2B1,à 2A1) ionization and H2S+(ÖX) transition"], "weko_shared_id": null}
He*(2 3S) Penning ionization of H2S. I. Theoretical Franck–Condon factors for the H2S(X 1A1,v’=0)→H2S+(X 2B1,à 2A1) ionization and H2S+(ÖX) transition
http://hdl.handle.net/10191/6279
http://hdl.handle.net/10191/62792119aff1-0746-4a8c-b6b2-bc1d05fc5fb3
名前 / ファイル | ライセンス | アクション |
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13_0008.pdf (929.3 kB)
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Item type | 学術雑誌論文 / Journal Article(1) | |||||
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公開日 | 2008-04-23 | |||||
タイトル | ||||||
タイトル | He*(2 3S) Penning ionization of H2S. I. Theoretical Franck–Condon factors for the H2S(X 1A1,v’=0)→H2S+(X 2B1,à 2A1) ionization and H2S+(ÖX) transition | |||||
タイトル | ||||||
言語 | en | |||||
タイトル | He*(2 3S) Penning ionization of H2S. I. Theoretical Franck–Condon factors for the H2S(X 1A1,v’=0)→H2S+(X 2B1,à 2A1) ionization and H2S+(ÖX) transition | |||||
言語 | ||||||
言語 | eng | |||||
資源タイプ | ||||||
資源 | http://purl.org/coar/resource_type/c_6501 | |||||
タイプ | journal article | |||||
著者 |
Tokue, Ikuo
× Tokue, Ikuo× Yamasaki, Katsuyoshi× Nanbu, Shinkoh |
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著者別名 | ||||||
識別子 | 6648 | |||||
識別子Scheme | WEKO | |||||
姓名 | 徳江, 郁雄 | |||||
抄録 | ||||||
内容記述タイプ | Abstract | |||||
内容記述 | In order to elucidate the ionization dynamics, in particular the vibrational distribution, of H2S+(Ã) produced by the Penning ionization of H2S with He*(2 3S) atoms, the Franck–Condon factors (FCFs) were presented for the H2S(X)→H2S+(X,Ã) ionization and the H2S+(ÖX) transition, and Einstein's A coefficients were presented for the latter transition. The FCFs were obtained by quantum vibrational calculations using the global potential energy surfaces (PESs) of H2S(X1A1) and H2S+(X 2B1,à 2A1,B 2B2) electronic states. The global PESs were determined by the multireference configuration interaction calculations with the Davidson correction and the interpolant moving least squares method combined with the Shepard interpolation. The obtained FCFs exhibit that the H2S+(X) state primarily populates the vibrational ground state since its equilibrium geometry is almost equal to that of H2S(X), while the bending mode (ν2) is strongly enhanced for the H2S+(Ã) state; the maximum in the population is aroundν2=6–7. In the same manner, the bending progressions are expected to consist of the great part of the H2S+(ÖX) emission. A detailed comparison with the experimental study for this system is reported in the accompanying paper, Paper II. | |||||
書誌情報 |
Journal of Chemical Physics en : Journal of Chemical Physics 巻 119, 号 12, p. 5874-5881, 発行日 2003 |
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出版者 | ||||||
出版者 | American Institute of Physics | |||||
ISSN | ||||||
収録物識別子タイプ | ISSN | |||||
収録物識別子 | 00219606 | |||||
書誌レコードID | ||||||
収録物識別子タイプ | NCID | |||||
収録物識別子 | AA00694991 | |||||
DOI | ||||||
識別子タイプ | DOI | |||||
関連識別子 | info:doi/10.1063/1.1602063 | |||||
権利 | ||||||
権利情報 | ©2003 American Institute of Physics | |||||
著者版フラグ | ||||||
値 | publisher |