Differentiating Three-Dimensional Molecular Structures using Laser-induced Coulomb Explosion Imaging

• URL: http://arxiv.org/abs/2408.08389v1
• Date: Thu, 15 Aug 2024 19:13:12 GMT
• Title: Differentiating Three-Dimensional Molecular Structures using Laser-induced Coulomb Explosion Imaging
• Authors: Huynh Van Sa Lam, Anbu Selvam Venkatachalam, Surjendu Bhattacharyya, Keyu Chen, Kurtis Borne, Enliang Wang, Rebecca Boll, Till Jahnke, Vinod Kumarappan, Artem Rudenko, Daniel Rolles,
• Abstract summary: Coulomb explosion imaging (CEI) with x-ray free electron lasers has recently been shown to be a powerful method for obtaining structural information. We study the static CEI patterns of planar and nonplanar organic molecules that resemble the structures of typical products formed in ring-opening reactions.
• Score: 3.9129754585925594
• License: http://arxiv.org/licenses/nonexclusive-distrib/1.0/
• Abstract: 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. Nat. Phys. 18, 423-428 (2022)]. In this Letter, we investigate the potential of CEI driven by a tabletop laser and extend this approach to differentiating three-dimensional (3D) 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. Our results reveal that each molecule exhibits a well-localized and distinctive pattern in 3D 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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