University of Oulu

Kokkonen, E., Jänkälä, K., Patanen, M., Cao, W., Hrast, M., Bučar, K., Žitnik, M., Huttula, M. (2018) Role of ultrafast dissociation in the fragmentation of chlorinated methanes. Journal of Chemical Physics, 148 (17), 174301. doi:10.1063/1.5026720

Role of ultrafast dissociation in the fragmentation of chlorinated methanes

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Author: Kokkonen, E.1; Jänkälä, K.1; Patanen, M.1;
Organizations: 1Nano and Molecular Systems Research Unit, University of Oulu, P.O. Box 3000, FIN-90014 Oulu, Finland
2Jožef Stefan Institute, P.O. Box 3000, SI-1001 Ljubljana, Slovenia
3Faculty of Mathematics and Physics, University of Ljubljana, Jadranska 19, SI-1000 Ljubljana, Slovenia
Format: article
Version: published version
Access: open
Online Access: PDF Full Text (PDF, 1.1 MB)
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Language: English
Published: American Institute of Physics, 2018
Publish Date: 2018-05-11


Photon-induced fragmentation of a full set of chlorinated methanes (CH₃Cl, CH₂Cl₂, CHCl₃, CCl₄) has been investigated both experimentally and computationally. Using synchrotron radiation and electron-ion coincidence measurements, the dissociation processes were studied after chlorine 2p electron excitation. Experimental evidence for CH₃Cl and CH₂Cl₂ contains unique features suggesting that fast dissociation processes take place. By contrast, CHCl₃ and CCl₄ molecules do not contain the same features, hinting that they experience alternative mechanisms for dissociation and charge migration. Computational work indicates differing rates of charge movement after the core-excitation, which can be used to explain the differences observed experimentally.

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Series: Journal of chemical physics
ISSN: 0021-9606
ISSN-E: 1089-7690
ISSN-L: 0021-9606
Volume: 148
Issue: 17
Article number: 174301
DOI: 10.1063/1.5026720
Type of Publication: A1 Journal article – refereed
Field of Science: 114 Physical sciences
116 Chemical sciences
Funding: The work is financially supported by an Oulu University Strategic Grant, the No. P1-0112 research program of the Slovenian Research Agency, the North Ostrobothnia Regional fund of the Finnish Cultural Foundation, and the Research Council for Natural Sciences and Engineering of the Academy of Finland. The research leading to these results has also received funding from the European Community’s Seventh Framework Programme (No. FP7/2007-2013) CALIPSO under Grant Agreement No.312284.
Copyright information: © 2018 The Authors. Published by AIP Publishing.