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Ab initio MRCI study on potential energy surfaces for double Cl loss from the palladium tetrachloride anion PdCl42-
https://repo.qst.go.jp/records/81803
https://repo.qst.go.jp/records/818037482ba01-2eb2-42db-9685-fa97bfe43ccc
| Item type | 学術雑誌論文 / Journal Article(1) | |||||
|---|---|---|---|---|---|---|
| 公開日 | 2020-12-04 | |||||
| タイトル | ||||||
| タイトル | Ab initio MRCI study on potential energy surfaces for double Cl loss from the palladium tetrachloride anion PdCl42- | |||||
| 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 | |||||
| アクセス権 | ||||||
| アクセス権 | metadata only access | |||||
| アクセス権URI | http://purl.org/coar/access_right/c_14cb | |||||
| 著者 |
Kurosaki, Yuzuru
× Kurosaki, Yuzuru× Nakanishi, Ryuzo× Saeki, Morihisa× Oba, Hironori× Yuzuru, Kurosaki× Ryuzo, Nakanishi× Morihisa, Saeki× Hironori, Oba |
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| 抄録 | ||||||
| 内容記述タイプ | Abstract | |||||
| 内容記述 | We theoretically study double Cl loss from the palladium tetrachloride anion PdCl42- using the ab initio MRCI method. The double Cl loss is probably a significant process in the laser-induced particle formation of Pd in aqueous/EtOH solution which was proposed recently by Saeki et al. (M. Saeki et al., J. Phys. Chem. C 123 (2019) 817). It is predicted that the wave packet created on excited potential energy surfaces (PESs) by the UV irradiation at 266 nm temporally propagates on the PESs and finally spreads over a flat region, where neutral Cl and anionic Cl- are generated. | |||||
| 書誌情報 |
Chemical Physics Letters 巻 764, p. 138247, 発行日 2021-02 |
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| 出版者 | ||||||
| 出版者 | Elsevier | |||||
| ISSN | ||||||
| 収録物識別子タイプ | ISSN | |||||
| 収録物識別子 | 0009-2614 | |||||
| DOI | ||||||
| 識別子タイプ | DOI | |||||
| 関連識別子 | 10.1016/j.cplett.2020.138247 | |||||
| 関連サイト | ||||||
| 識別子タイプ | URI | |||||
| 関連識別子 | https://www.sciencedirect.com/science/article/abs/pii/S0009261420311477 | |||||
