Triple ionization and fragmentation of benzene trimers following ultrafast intermolecular Coulombic decay

Jiaqi Zhou, Xitao Yu, Sizuo Luo, Xiaorui Xue, Shaokui Jia, Xinyu Zhang, Yongtao Zhao, Xintai Hao, Lanhai He, Chuncheng Wang, Dajun Ding () and Xueguang Ren ()
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Jiaqi Zhou: Xi’an Jiaotong University
Xitao Yu: Jilin University
Sizuo Luo: Jilin University
Xiaorui Xue: Xi’an Jiaotong University
Shaokui Jia: Xi’an Jiaotong University
Xinyu Zhang: Jilin University
Yongtao Zhao: Xi’an Jiaotong University
Xintai Hao: Xi’an Jiaotong University
Lanhai He: Jilin University
Chuncheng Wang: Jilin University
Dajun Ding: Jilin University
Xueguang Ren: Xi’an Jiaotong University

Nature Communications, 2022, vol. 13, issue 1, 1-9

Abstract: Abstract Intermolecular interactions involving aromatic rings are ubiquitous in biochemistry and they govern the properties of many organic materials. Nevertheless, our understanding of the structures and dynamics of aromatic clusters remains incomplete, in particular for systems beyond the dimers, despite their high presence in many macromolecular systems such as DNA and proteins. Here, we study the fragmentation dynamics of benzene trimer that represents a prototype of higher-order aromatic clusters. The trimers are initially ionized by electron-collision with the creation of a deep-lying carbon 2s−1 state or one outer-valence and one inner-valence vacancies at two separate molecules. The system can thus relax via ultrafast intermolecular decay mechanisms, leading to the formation of C $${}_{6}{{{{{{{{{\rm{H}}}}}}}}}_{6}}^{+}\cdot$$ 6 H 6 + ⋅ C $${}_{6}{{{{{{{{{\rm{H}}}}}}}}}_{6}}^{+}\cdot$$ 6 H 6 + ⋅ C $${}_{6}{{{{{{{{{\rm{H}}}}}}}}}_{6}}^{+}$$ 6 H 6 + trications and followed by a concerted three-body Coulomb explosion. Triple-coincidence ion momentum spectroscopy, accompanied by ab-initio calculations and further supported by strong-field laser experiments, allows us to elucidate the details on the fragmentation dynamics of benzene trimers.

Date: 2022
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DOI: 10.1038/s41467-022-33032-2

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