University of Oulu

Abid, A.R., Bhattacharyya, S., Venkatachalam, A.S. et al. Hydrogen migration in inner-shell ionized halogenated cyclic hydrocarbons. Sci Rep 13, 2107 (2023).

Hydrogen migration in inner-shell ionized halogenated cyclic hydrocarbons

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Author: Abid, Abdul Rahman1,2,3; Bhattacharyya, Surjendu1; Venkatachalam, Anbu Selvam1;
Organizations: 1J. R. Macdonald Laboratory, Department of Physics, Kansas State University, Manhattan, KS, 66506, USA
2Nano and Molecular Systems Research Unit, University of Oulu, 90570, Oulu, Finland
3Department of Physics and Astronomy, Aarhus University, 8000, Aarhus, Denmark
4Department of Physics, University of Connecticut, Storrs, CT, 06269, USA
5Hobart and William Smith Colleges, Geneva, NY, 14456, USA
Format: article
Version: published version
Access: open
Online Access: PDF Full Text (PDF, 6 MB)
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Language: English
Published: Springer Nature, 2023
Publish Date: 2023-02-16


We have studied the fragmentation of the brominated cyclic hydrocarbons bromocyclo-propane, bromocyclo-butane, and bromocyclo-pentane upon Br(3d) and C(1s) inner-shell ionization using coincidence ion momentum imaging. We observe a substantial yield of CH3+ fragments, whose formation requires intramolecular hydrogen (or proton) migration, that increases with molecular size, which contrasts with prior observations of hydrogen migration in linear hydrocarbon molecules. Furthermore, by inspecting the fragment ion momentum correlations of three-body fragmentation channels, we conclude that CHx⁺ fragments (with x = 0, …, 3) with an increasing number of hydrogens are more likely to be produced via sequential fragmentation pathways. Overall trends in the molecular-size-dependence of the experimentally observed kinetic energy releases and fragment kinetic energies are explained with the help of classical Coulomb explosion simulations.

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Series: Scientific reports
ISSN: 2045-2322
ISSN-E: 2045-2322
ISSN-L: 2045-2322
Volume: 13
Issue: 1
Article number: 2107
DOI: 10.1038/s41598-023-28694-x
Type of Publication: A1 Journal article – refereed
Field of Science: 114 Physical sciences
116 Chemical sciences
Funding: This work was supported primarily by the Chemical Sciences, Geosciences, and Biosciences Division, Office of Basic Energy Sciences, Office of Science, US Department of Energy, Grant No. DEFG02-86ER13491 (Kansas group) and DE-SC0012376 (UConn group). S.B. was supported by Grant No. DE-SC0020276 from the same funding agency. A.S.V. was supported by the National Science Foundation (NSF) Grant No. PHYS-1753324 to D.R. This research used resources of the Advanced Light Source, which is a DOE Office of Science User Facility under contract no. DE-AC02-05CH11231. A.R.A. acknowledges the European Union's Horizon 2020 Research and Innovation Programme under the Marie Skłodowska-Curie Postdoctoral Fellowship project Photochem-RS-RP (Grant Agreement No. 101068805). M.P. acknowledges The University of Oulu and The Academy of Finland Profi5 Grant 326291.
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