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密度汎関数法による塩化パラジウム錯体イオンPdCl42-の Cl光解離過程の理論研究
https://repo.qst.go.jp/records/83369
https://repo.qst.go.jp/records/83369b5c63064-6f07-4cd1-8d00-008f3642021e
| Item type | 会議発表用資料 / Presentation(1) | |||||
|---|---|---|---|---|---|---|
| 公開日 | 2021-08-20 | |||||
| タイトル | ||||||
| タイトル | 密度汎関数法による塩化パラジウム錯体イオンPdCl42-の Cl光解離過程の理論研究 | |||||
| 言語 | ||||||
| 言語 | jpn | |||||
| 資源タイプ | ||||||
| 資源タイプ識別子 | http://purl.org/coar/resource_type/c_c94f | |||||
| 資源タイプ | conference object | |||||
| 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 |
安齋愛子
× 安齋愛子× 黒崎, 譲× 佐伯, 盛久× 村岡, 梓× Yuzuru, Kurosaki× Morihisa, Saeki |
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| 抄録 | ||||||
| 内容記述タイプ | Abstract | |||||
| 内容記述 | Nuclear spent fuel discharged from atomic power plant contain platinum group elements (PtGs) such as palladium. Recently, it is proposed to be reused as resource by separation and recovery of PtGs from unclear spent fuel. Thus, we focused on that laser-induced can reduce metal and separate element. We proposed and succeed a method for the separation of PtGs using laser-induced particle formation and recovery after growing to nanoparticle. The irradiation of UV laser at 266 nm induced the reduction of Pd2+ in aqueous/EtOH solution, which has charge-transfer absorption band at UV range, neutralizing Pd2+ into Pd0. As a result, it be easily recovered by forming Pd particles grown to nanoparticles. We assume 4Cl- loss from the anion PdCl42- and calculate low-lying energy curves of PdCl42- in the gas please, H2O and Ethanol as a function of Pd-Cl bond length by TDDFT calculation. | |||||
| 会議概要（会議名, 開催地, 会期, 主催者等） | ||||||
| 内容記述タイプ | Other | |||||
| 内容記述 | 第１５回分子科学討論会 | |||||
| 発表年月日 | ||||||
| 日付 | 2021-09-19 | |||||
| 日付タイプ | Issued | |||||
