Hydrogen migration in inner-shell ionized halogenated cyclic hydrocarbons

Abid, Abdul Rahman; Bhattacharyya, Surjendu; Venkatachalam, Anbu Selvam; Pathak, Shashank; Chen, Keyu; Lam, Huynh Van Sa; Borne, Kurtis; Mishra, Debadarshini; Bilodeau, René C.; Dumitriu, Ileana; Berrah, Nora; Patanen, Minna; Rolles, Daniel

doi:10.1038/s41598-023-28694-x

Title: Hydrogen migration in inner-shell ionized halogenated cyclic hydrocarbons

Journal Article · 05 February 2023 · Scientific Reports

DOI: https://doi.org/10.1038/s41598-023-28694-x · OSTI ID:1923580

Abid, Abdul Rahman; Bhattacharyya, Surjendu; Venkatachalam, Anbu Selvam; Pathak, Shashank; Chen, Keyu; Lam, Huynh Van Sa; Borne, Kurtis; Mishra, Debadarshini; Bilodeau, René C.; Dumitriu, Ileana; Berrah, Nora; Patanen, Minna; Rolles, Daniel

Abstract We have studied the fragmentation of the brominated cyclic hydrocarbons bromocyclo-propane, bromocyclo-butane, and bromocyclo-pentane upon Br(3 d ) and C(1 s ) inner-shell ionization using coincidence ion momentum imaging. We observe a substantial yield of CH ₃ ⁺ 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 CH _x ⁺ 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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Research Organization:: Kansas State Univ., Manhattan, KS (United States); Univ. of California, Oakland, CA (United States); Univ. of Connecticut, Storrs, CT (United States); Univ. of Nebraska, Lincoln, NE (United States)

Sponsoring Organization:: USDOE; USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division (CSGB); USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)

Grant/Contract Number:: AC02-05CH11231; FG02-86ER13491; SC0012376; SC0020276

OSTI ID:: 1923580

Journal Information:: Scientific Reports, Journal Name: Scientific Reports Journal Issue: 1 Vol. 13; ISSN 2045-2322

Publisher:: Nature Publishing GroupCopyright Statement

Country of Publication:: United Kingdom

Language:: English

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37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
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Title: Hydrogen migration in inner-shell ionized halogenated cyclic hydrocarbons

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