| アイテムタイプ |
学術雑誌論文 / Journal Article(1) |
| 公開日 |
2026-03-12 |
| タイトル |
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タイトル |
Imaging Three-Dimensional Molecular Structure and Dynamics with Multiparticle Covariance and Cumulant Coulomb Explosion Analysis |
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言語 |
en |
| 言語 |
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言語 |
eng |
| 資源タイプ |
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資源タイプ識別子 |
http://purl.org/coar/resource_type/c_6501 |
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資源タイプ |
journal article |
| 著者 |
Chuan Cheng
Yoshiaki Kumagai
Kiyonobu Nagaya
Tatsuo Gejo
James Harries
Michael Burt
Mark Brouard
Avijit Duley
Paul Hockett
Joseph W. McManus
Russell S. Minns
Subhendu Mondal
Shigeki Owada
Weronika Razmus
Daniel Rolles
Takahiro Sato
Henry J. Thompson
Anbu S.Venkatachalam
Emily M. Warne
Tiffany Walmsley
Mana Yagi
Philip Bucksbaum
Felix Allum
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| 抄録 |
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内容記述タイプ |
Abstract |
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内容記述 |
Coulomb explosion imaging (CEI) provides a direct means of imaging molecular geometry by correlating fragment ion momenta following the fragmentation of a molecular polycation. Here, we demonstrate the use of three-body covariance and four-body cumulant analysis to extract three-dimensional (3D) structural information from the X-ray-induced Coulomb explosion of tert-butyl iodide (C4H9I). Site-selective ionization at the iodine 4d edge with intense femtosecond soft X-ray pulses from an X-ray free-electron laser (XFEL) enables rapid charge buildup and molecular breakup. By correlating ionic fragments in the molecular frame, we isolate complete dissociation channels and reveal subtle structural changes, such as umbrella-type motion of the branched alkyl chain, during the ionization process. Comparison with point-charge simulations of the Coulomb explosion shows close agreement, validating the approach. These results establish covariance/cumulant mapping as a powerful strategy for imaging complex three-dimensional molecular structures and point the way toward time-resolved CEI using both XFEL and tabletop sources for capturing ultrafast structural dynamics. |
| 書誌情報 |
The Journal of Physical Chemistry Letters
発行日 2026-03
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| 出版者 |
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出版者 |
American Chemical Society |
| DOI |
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識別子タイプ |
DOI |
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関連識別子 |
10.1021/acs.jpclett.6c00162 |
