Correlation of the Charge Resonance Interaction with Cluster Conformations Probed by Electronic Spectroscopy of Dimer Radical Cations of CO2 and CS2 in a Cryogenic Ion Trap
The Journal of Physical Chemistry Letters 15 巻 5 号
1493-1499 頁
2024-01-31 発行
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| ファイル情報(添付) | |
| タイトル ( eng ) |
Correlation of the Charge Resonance Interaction with Cluster Conformations Probed by Electronic Spectroscopy of Dimer Radical Cations of CO2 and CS2 in a Cryogenic Ion Trap
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| 作成者 |
Koyama Masahiro
Hirokawa Yasuaki
Iriguchi Jidai
Matsuyama Akihito
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| 収録物名 |
The Journal of Physical Chemistry Letters
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| 巻 | 15 |
| 号 | 5 |
| 開始ページ | 1493 |
| 終了ページ | 1499 |
| 抄録 |
Radical cations of dimeric clusters of carbon dioxide/disulfide, [(CX2)2]+• (X = O and S), form strong intracluster bonds through charge resonance (CR) interactions. We herein performed electronic photodissociation spectroscopy of [(CX2)2]+• while regulating the temperature under ambient and cryogenic conditions using a quadrupole ion trap. Both ions exhibited broad band absorption in the near-infrared–visible light region; it is called the “CR band”, as a measure of the strength of the CR interaction. Strikingly, this band underwent a noticeable blue shift upon cryogenic cooling for [(CS2)2]+• while not for [(CO2)2]+•. On the basis of quantum chemical calculations with a coupled cluster method, the band shift was attributed to the variations in the relative population of two energetically close conformers found for [(CS2)2]+•. This study highlights a strong correlation between CR interactions and conformation of the radical dimer cations, demonstrating the exceptional significance of cryogenic cooling in the chemistry of ionic molecular clusters.
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| 内容記述 |
This work was financially supported by JSPS KAKENHI (Grant Numbers: JP19K15507 and JP22K14649), Futaba Foundation, and Electronic Technology Research Foundation of Chugoku.
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| 言語 |
英語
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| 資源タイプ | 学術雑誌論文 |
| 出版者 |
American Chemical Society
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| 発行日 | 2024-01-31 |
| 権利情報 |
This document is the Accepted Manuscript version of a Published Work that appeared in final form in The Journal of Physical Chemistry Letters, copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see https://doi.org/10.1021/acs.jpclett.3c03500
This is not the published version. Please cite only the published version.
この論文は出版社版ではありません。引用の際には出版社版をご確認、ご利用ください。
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| 出版タイプ | Accepted Manuscript（出版雑誌の一論文として受付されたもの。内容とレイアウトは出版社の投稿様式に沿ったもの） |
| アクセス権 | エンバーゴ期間中 |
| 収録物識別子 |
[DOI] https://doi.org/10.1021/acs.jpclett.3c03500
～の異版である
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| 助成機関名 |
日本学術振興会
Japan Society for the Promotion of Science
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| 助成機関識別子 |
[Crossref Funder] https://doi.org/10.13039/501100001691
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| 研究課題名 |
金属クラスター湿式合成メカニズムの気相分光による解明
Synthesis mechanism of metal clusters studied by gas-phase spectroscopy
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| 研究課題番号 |
19K15507
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| 助成機関名 |
日本学術振興会
Japan Society for the Promotion of Science
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| 助成機関識別子 |
[Crossref Funder] https://doi.org/10.13039/501100001691
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| 研究課題名 |
気相極低温分光で捉える有機配位子保護金属クラスターの構造ゆらぎとその起源
気相極低温分光で捉える有機配位子保護金属クラスターの構造ゆらぎとその起源
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| 研究課題番号 |
22K14649
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| 備考 | The full-text file will be made open to the public on 31 January 2025 in accordance with publisher's 'Terms and Conditions for Self-Archiving' |
