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Energy-dependent timescales in the dissociation of diiodothiophene dication

Kukk, Edwin ; Pihlava, Lassi ; Kooser, Kuno ; Stråhlman, Christian LU ; MacLot, Sylvain LU and Kivimäki, Antti LU (2023) In Physical Chemistry Chemical Physics 25(7). p.5795-5807
Abstract

Photodissociation molecular dynamics of gas-phase 2,5-diiodothiophene molecules was studied in an electron-energy-resolved electron-multi-ion coincidence experiment performed at the FinEstBeAMS beamline of MAX IV synchrotron. Following the photoionization of the iodine 4d subshell and the Auger decay, the dissociation landscape of the molecular dication was investigated as a function of the Auger electron energy. Concentrating on an major dissociation pathway, C4H2I2S2+ → C4H2S+ + I+ + I, and accessing the timescales of the process via ion momentum correlation analysis, it was revealed how this three-body process changes depending on the available internal energy. Using a generalized secondary dissociation model, the process was shown... (More)

Photodissociation molecular dynamics of gas-phase 2,5-diiodothiophene molecules was studied in an electron-energy-resolved electron-multi-ion coincidence experiment performed at the FinEstBeAMS beamline of MAX IV synchrotron. Following the photoionization of the iodine 4d subshell and the Auger decay, the dissociation landscape of the molecular dication was investigated as a function of the Auger electron energy. Concentrating on an major dissociation pathway, C4H2I2S2+ → C4H2S+ + I+ + I, and accessing the timescales of the process via ion momentum correlation analysis, it was revealed how this three-body process changes depending on the available internal energy. Using a generalized secondary dissociation model, the process was shown to evolve from secondary dissociation regime towards concerted dissociation as the available energy increased, with the secondary dissociation time constant changing from 1.5 ps to 129 fs. The experimental results were compared with simulations using a stochastic charge-hopping molecular mechanics model. It represented the observed trend and also gave a fair quantitative agreement with the experiment.

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author
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organization
publishing date
type
Contribution to journal
publication status
published
subject
in
Physical Chemistry Chemical Physics
volume
25
issue
7
pages
13 pages
publisher
Royal Society of Chemistry
external identifiers
  • pmid:36744651
  • scopus:85148250482
ISSN
1463-9076
DOI
10.1039/d2cp05309h
language
English
LU publication?
yes
id
3c1b1371-9204-4a35-a4e9-bde2905a363a
date added to LUP
2023-03-03 15:14:13
date last changed
2024-04-04 17:04:24
@article{3c1b1371-9204-4a35-a4e9-bde2905a363a,
  abstract     = {{<p>Photodissociation molecular dynamics of gas-phase 2,5-diiodothiophene molecules was studied in an electron-energy-resolved electron-multi-ion coincidence experiment performed at the FinEstBeAMS beamline of MAX IV synchrotron. Following the photoionization of the iodine 4d subshell and the Auger decay, the dissociation landscape of the molecular dication was investigated as a function of the Auger electron energy. Concentrating on an major dissociation pathway, C4H2I2S2+ → C4H2S+ + I+ + I, and accessing the timescales of the process via ion momentum correlation analysis, it was revealed how this three-body process changes depending on the available internal energy. Using a generalized secondary dissociation model, the process was shown to evolve from secondary dissociation regime towards concerted dissociation as the available energy increased, with the secondary dissociation time constant changing from 1.5 ps to 129 fs. The experimental results were compared with simulations using a stochastic charge-hopping molecular mechanics model. It represented the observed trend and also gave a fair quantitative agreement with the experiment.</p>}},
  author       = {{Kukk, Edwin and Pihlava, Lassi and Kooser, Kuno and Stråhlman, Christian and MacLot, Sylvain and Kivimäki, Antti}},
  issn         = {{1463-9076}},
  language     = {{eng}},
  number       = {{7}},
  pages        = {{5795--5807}},
  publisher    = {{Royal Society of Chemistry}},
  series       = {{Physical Chemistry Chemical Physics}},
  title        = {{Energy-dependent timescales in the dissociation of diiodothiophene dication}},
  url          = {{http://dx.doi.org/10.1039/d2cp05309h}},
  doi          = {{10.1039/d2cp05309h}},
  volume       = {{25}},
  year         = {{2023}},
}