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Characterizing the multi-dimensional reaction dynamics of dihalomethanes using XUV-induced Coulomb explosion imaging

Walmsley, T. ; Unwin, J. ; Allum, F. ; Bari, S. ; Boll, R. ; Borne, K. ; Brouard, M. ; Bucksbaum, P. ; Ekanayake, N. and Erk, B. , et al. (2023) In Journal of Chemical Physics 159(14).
Abstract

Site-selective probing of iodine 4d orbitals at 13.1 nm was used to characterize the photolysis of CH2I2 and CH2BrI initiated at 202.5 nm. Time-dependent fragment ion momenta were recorded using Coulomb explosion imaging mass spectrometry and used to determine the structural dynamics of the dissociating molecules. Correlations between these fragment momenta, as well as the onset times of electron transfer reactions between them, indicate that each molecule can undergo neutral three-body photolysis. For CH2I2, the structural evolution of the neutral molecule was simultaneously characterized along the C-I and I-C-I coordinates, demonstrating the sensitivity of these measurements to... (More)

Site-selective probing of iodine 4d orbitals at 13.1 nm was used to characterize the photolysis of CH2I2 and CH2BrI initiated at 202.5 nm. Time-dependent fragment ion momenta were recorded using Coulomb explosion imaging mass spectrometry and used to determine the structural dynamics of the dissociating molecules. Correlations between these fragment momenta, as well as the onset times of electron transfer reactions between them, indicate that each molecule can undergo neutral three-body photolysis. For CH2I2, the structural evolution of the neutral molecule was simultaneously characterized along the C-I and I-C-I coordinates, demonstrating the sensitivity of these measurements to nuclear motion along multiple degrees of freedom.

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organization
publishing date
type
Contribution to journal
publication status
published
subject
in
Journal of Chemical Physics
volume
159
issue
14
article number
144302
publisher
American Institute of Physics (AIP)
external identifiers
  • pmid:37823458
  • scopus:85174837269
ISSN
0021-9606
DOI
10.1063/5.0172749
language
English
LU publication?
yes
id
668dc4a6-fbf0-4450-96d1-cfab0ae9c57f
date added to LUP
2024-01-12 09:03:06
date last changed
2024-04-13 03:16:11
@article{668dc4a6-fbf0-4450-96d1-cfab0ae9c57f,
  abstract     = {{<p>Site-selective probing of iodine 4d orbitals at 13.1 nm was used to characterize the photolysis of CH<sub>2</sub>I<sub>2</sub> and CH<sub>2</sub>BrI initiated at 202.5 nm. Time-dependent fragment ion momenta were recorded using Coulomb explosion imaging mass spectrometry and used to determine the structural dynamics of the dissociating molecules. Correlations between these fragment momenta, as well as the onset times of electron transfer reactions between them, indicate that each molecule can undergo neutral three-body photolysis. For CH<sub>2</sub>I<sub>2</sub>, the structural evolution of the neutral molecule was simultaneously characterized along the C-I and I-C-I coordinates, demonstrating the sensitivity of these measurements to nuclear motion along multiple degrees of freedom.</p>}},
  author       = {{Walmsley, T. and Unwin, J. and Allum, F. and Bari, S. and Boll, R. and Borne, K. and Brouard, M. and Bucksbaum, P. and Ekanayake, N. and Erk, B. and Forbes, R. and Howard, A. J. and Eng-Johnsson, P. and Lee, J. W.L. and Liu, Z. and Manschwetus, B. and Mason, R. and Passow, C. and Peschel, J. and Rivas, D. and Rolles, D. and Rörig, A. and Rouzée, A. and Vallance, C. and Ziaee, F. and Burt, M.}},
  issn         = {{0021-9606}},
  language     = {{eng}},
  month        = {{10}},
  number       = {{14}},
  publisher    = {{American Institute of Physics (AIP)}},
  series       = {{Journal of Chemical Physics}},
  title        = {{Characterizing the multi-dimensional reaction dynamics of dihalomethanes using XUV-induced Coulomb explosion imaging}},
  url          = {{http://dx.doi.org/10.1063/5.0172749}},
  doi          = {{10.1063/5.0172749}},
  volume       = {{159}},
  year         = {{2023}},
}