Coulomb explosion dynamics of methoxycarbonylsulfenyl chloride by 3D multimass imaging
- 13 October 2021
- journal article
- research article
- Published by Taylor & Francis Ltd in Molecular Physics
- Vol. 120 (1-2)
- https://doi.org/10.1080/00268976.2021.1988170
Abstract
Coupling covariance map analysis with ultrafast laser-induced Coulomb explosion imaging (CEI) enabled us to characterise the dissociative ionisation dynamics of methoxycarbonylsulfenyl chloride (H3COCOSCl). We applied a 3D multi-coincidence detection technique which is necessary for covariance imaging analysis. With the aid of such analysis, we found meaningful correlations between several product ion pairs that revealed different fragmentation channels. A weak, narrow correlation in the covariance image of H3COC(O)+/Cl+ was assigned to a concerted three-body dissociation channel. We also observed a broadly distributed correlation in the covariance image of COS+/HCO+, which is ascribed to a multi-body fragmentation channel. Ab initio calculations were carried out to determine the likely starting structures. A very sharp feature in the covariance image of Cl+/ CH3+ indicated that this pair of ions is produced from a two-body-like fragmentation event of CH3Cl2+. We show by direct comparison with CEI of CH3Cl that, contrary to a previously suggested assignment, this ion pair is produced from CH3Cl, which is formed either in the bubbler or gas line before the molecular beam interacts with the laser beam. GRAPHICAL ABSTRACTFunding Information
- Director, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences of the U.S. Department of Energy (DE-SC0017130)
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