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A theoretical study of non-adiabatic processes in the photodissociation of the palladium dichloride anion, PdCl2–
https://repo.qst.go.jp/records/2002625
https://repo.qst.go.jp/records/20026256f40fc0b-9ccf-49f9-afa1-2d10f9c91883
| アイテムタイプ | 学術雑誌論文 / Journal Article(1) | |||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| 公開日 | 2026-01-20 | |||||||||
| タイトル | ||||||||||
| タイトル | A theoretical study of non-adiabatic processes in the photodissociation of the palladium dichloride anion, PdCl2– | |||||||||
| 言語 | en | |||||||||
| 言語 | ||||||||||
| 言語 | eng | |||||||||
| 資源タイプ | ||||||||||
| 資源タイプ識別子 | http://purl.org/coar/resource_type/c_6501 | |||||||||
| 資源タイプ | journal article | |||||||||
| 著者 |
Kurosaki Yuzuru
× Kurosaki Yuzuru
× Saeki Morihisa
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| 抄録 | ||||||||||
| 内容記述タイプ | Abstract | |||||||||
| 内容記述 | We theoretically investigate photodissociations of the gas-phase palladium dichloride anion, PdCl2-. Visible photodissociation mass spectrometry revealed that the main dissociation channel yields chloride anion (PdCl + Cl-), but our previous calculations based on a linear-geometry model did not explain the observation. In this study bent geometries are considered and absorption spectra and potential energies are calculated using the MRCI method. It is found that the computational results agree with the observed absorption spectrum and dissociation product. It is worth noting that non-adiabatic transitions between excited-state potential curves are found to play a key role in the photodissociation process. | |||||||||
| 書誌情報 |
Chemical Physics Letters 巻 886, p. 142654, 発行日 2026-03 |
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| 出版者 | ||||||||||
| 出版者 | ELSEVIER | |||||||||
| DOI | ||||||||||
| 識別子タイプ | DOI | |||||||||
| 関連識別子 | 10.1016/j.cplett.2026.142654 | |||||||||
