ダウンロード数: 37
このアイテムのファイル:
ファイル | 記述 | サイズ | フォーマット | |
---|---|---|---|---|
j.cplett.2022.139462.pdf | 9.2 MB | Adobe PDF | 見る/開く |
タイトル: | Spin current in chemical reactions |
著者: | Hanasaki, Kota Takatsuka, Kazuo |
著者名の別形: | 花崎, 浩太 高塚, 和夫 |
キーワード: | Non-adiabatic dynamics Electronic current Radical reactions Spin current |
発行日: | 16-Apr-2022 |
出版者: | Elsevier BV |
誌名: | Chemical Physics Letters |
巻: | 793 |
論文番号: | 139462 |
抄録: | Development in attosecond technologies has been realizing real-time control of electronic dynamics. As a useful means for real-time monitoring of radical bond-rearrangement reactions, we introduce spin flux to track the dynamics of spin density in them. As an illustrative example, we show the spin flux in the course of the basic radical reaction H. + H₂. It is demonstrated that spin flux induces spin-polarization in the molecular target (H2) to weaken the covalent bond, thus leading to possible bond cleavage. The mechanism shown here is in harmony with the three-stage mechanism in radical reactions by Nagase et al. |
著作権等: | © 2022. This manuscript version is made available under the CC-BY-NC-ND 4.0 license. The full-text file will be made open to the public on 16 April 2024 in accordance with publisher's 'Terms and Conditions for Self-Archiving'. This is not the published version. Please cite only the published version. この論文は出版社版でありません。引用の際には出版社版をご確認ご利用ください。 |
URI: | http://hdl.handle.net/2433/285775 |
DOI(出版社版): | 10.1016/j.cplett.2022.139462 |
出現コレクション: | 学術雑誌掲載論文等 |
このアイテムは次のライセンスが設定されています: クリエイティブ・コモンズ・ライセンス