Differentiating Three-Dimensional Molecular Structures Using Laser-Induced Coulomb Explosion Imaging

Lam, Huynh Van Sa; Venkatachalam, Anbu Selvam; Bhattacharyya, Surjendu; Chen, Keyu; Borne, Kurtis; Wang, Enliang; Boll, Rebecca; Jahnke, Till; Kumarappan, Vinod; Rudenko, Artem; Rolles, Daniel

doi:10.1103/physrevlett.132.123201

Title: Differentiating Three-Dimensional Molecular Structures Using Laser-Induced Coulomb Explosion Imaging

Journal Article · 18 March 2024 · Physical Review Letters

DOI: https://doi.org/10.1103/physrevlett.132.123201 · OSTI ID:2429485

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Kansas State University, Manhattan, KS (United States); Kansas State University
Kansas State University, Manhattan, KS (United States)
European XFEL, Schenefeld (Germany)

Coulomb explosion imaging (CEI) with x-ray free electron lasers has recently been shown to be a powerful method for obtaining detailed structural information of gas-phase planar ring molecules [R. Boll et al., X-ray multiphoton-induced Coulomb explosion images complex single molecules, Nat. Phys. 18, 423 (2022).]. In this Letter, we investigate the potential of CEI driven by a tabletop laser and extend this approach to differentiating three-dimensional structures. We study the static CEI patterns of planar and nonplanar organic molecules that resemble the structures of typical products formed in ring-opening reactions. Here, our results reveal that each molecule exhibits a well-localized and distinctive pattern in three-dimensional fragment-ion momentum space. We find that these patterns yield direct information about the molecular structures and can be qualitatively reproduced using a classical Coulomb explosion simulation. Our findings suggest that laser-induced CEI can serve as a robust method for differentiating molecular structures of organic ring and chain molecules. As such, it holds great promise as a method for following ultrafast structural changes, e.g., during ring-opening reactions, by tracking the motion of individual atoms in pump-probe experiments.

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Research Organization:: Kansas State University, Manhattan, KS (United States)

Sponsoring Organization:: National Science Foundation (NSF); USDOE Office of Science (SC), Basic Energy Sciences (BES); USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division (CSGB)

Grant/Contract Number:: FG02-86ER13491; SC0020276

OSTI ID:: 2429485

Journal Information:: Physical Review Letters, Journal Name: Physical Review Letters Journal Issue: 12 Vol. 132; ISSN 0031-9007

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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74 ATOMIC AND MOLECULAR PHYSICS
Coulomb explosion imaging
imaging
molecular structure
ring opening reaction
structural dynamics
structure changes
tabletop laser
three dimensional
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Title: Differentiating Three-Dimensional Molecular Structures Using Laser-Induced Coulomb Explosion Imaging

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