Probing the structure of cyclic hydrocarbon molecules with X-ray-induced Coulomb explosion imaging
Year: 2026
Type: preprint
Abstract: Coulomb explosion imaging (CEI) is a powerful experimental technique that maps a molecule's geometric structure onto the momenta of ionic molecular fragments produced by rapid multiple ionization. Here, we apply CEI induced by pulses from an X-ray free-electron laser in order to image and distinguish complex hydrocarbon isomers with the chemical formula C7H8: toluene, cycloheptatriene, and 1,6-heptadiyne. The measured fragment-ion momentum distributions show discernible differences between the three isomers and provide signatures of specific carbon and hydrogen sites in the molecule. In contrast to previous work, we demonstrate that distinct 'marker atoms' are not strictly required for constructing a meaningful molecular frame of reference for the interpretation of the momentum-space data. Our work paves the way for tracking the ultrafast motion of nuclei during isomerization reactions in pure hydrocarbons.
Source: arXiv (Cornell University)
DOI: 10.1039/d6cp00502k
Authors: Borne, Kurtis D., Boll, Rebecca, Baumann, Thomas M., Bhattacharyya, Surjendu, Centurion, Martin, Chen, Keyu, Erk, Benjamin, De Fanis, Alberto, Forbes, Ruaridh, Ilchen, Markus, Kukk, Edwin, Lam, Huynh V. S., Li, Xiang, Ma, Lingyu, Mazza, Tommaso, Meyer, Michael, Mullins, Terence, Nunes, J. Pedro F., Odate, Asami, Pathak, Shashank, Rivas, Daniel, Schmidt, Philipp, Trinter, Florian, Usenko, Sergey, Venkatachalam, Anbu S., Wang, Enliang, Weber, Peter M., Jahnke, Till, Rudenko, Artem, Rolles, Daniel
Subfield: Atomic and Molecular Physics, and Optics
Field: Physics and Astronomy
Domain: Physical Sciences
Open Access status: green
Funders: National Science Foundation, U.S. Department of Energy, Deutsche Forschungsgemeinschaft, Bundesministerium für Bildung und Forschung, Office of Science, Division of Chemistry, Basic Energy Sciences, Chemical Sciences, Geosciences, and Biosciences Division, SLAC National Accelerator Laboratory
Awards: G1229526393, G1230266125, G1286251239, G1815137805, Dynamik photoionisationsinduzierter Prozesse in laserpräparierten Molekülen in der Gasphase und der wässrigen Phase, G2181953994, G222768804, G2371548206, G262532246, STRUCTURE AND DYNAMICS OF ATOMS, IONS, MOLECULES AND SURFACES, G303061748, EXC 2056: CUI: Advanced Imaging of Matter, G333714909, Electron Densities and Electron Correlations by X-Ray Scattering, G3826261775, G4235786860, G440953257, Time-resolved XUV and X-ray Photoelectron Spectroscopy of Gas-phase Molecules, G4711507462, G495301720, G498139845, G5570207115, G5631081224, G5648016710, G5993526748, G6550344761, Verbundprojekt: Strukturdynamik Chiraler Moleküle auf der Zeitskala von Elektronenbewegungen untersucht mit Freie-Elektronen Lasern (Bio-UCD-XFEL) - Teilvorhaben: Messkammer und Strukturdynamikuntersuchung am XFEL, ATOMIC PHYSICS WITH HIGHLY CHARGED IONS, G7283024673, G7331630580, PROBING NUCLEAR AND ELECTRONIC DYNAMICS IN ULTRAFAST RING-CONVERSION MOLECULAR REACTIONS, G8067403712, G8382000481, PROBING NUCLEAR AND ELECTRONIC DYNAMICS IN ULTRAFAST RING-CONVERSION MOLECULAR REACTIONS, G911061179, G969889393, STRUCTURE AND DYNAMICS OF ATOMS, IONS, MOLECULES AND SURFACES
OpenAlex ID: W7128096326
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