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Dissociation dynamics of the diamondoid adamantane upon photoionization by XUV femtosecond pulses

Maclot, Sylvain LU ; Lahl, Jan LU ; Peschel, Jasper LU ; Wikmark, Hampus LU orcid ; Rudawski, Piotr LU ; Brunner, Fabian LU ; Coudert-Alteirac, Hélène LU ; Indrajith, Suvasthika ; Huber, Bernd A and Díaz-Tendero, Sergio , et al. (2020) In Scientific Reports 10(1).
Abstract

This work presents a photodissociation study of the diamondoid adamantane using extreme ultraviolet femtosecond pulses. The fragmentation dynamics of the dication is unraveled by the use of advanced ion and electron spectroscopy giving access to the dissociation channels as well as their energetics. To get insight into the fragmentation dynamics, we use a theoretical approach combining potential energy surface determination, statistical fragmentation methods and molecular dynamics simulations. We demonstrate that the dissociation dynamics of adamantane dications takes place in a two-step process: barrierless cage opening followed by Coulomb repulsion-driven fragmentation.

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organization
publishing date
type
Contribution to journal
publication status
published
subject
in
Scientific Reports
volume
10
issue
1
article number
2884
publisher
Nature Publishing Group
external identifiers
  • scopus:85079806770
  • pmid:32076001
ISSN
2045-2322
DOI
10.1038/s41598-020-59649-1
language
English
LU publication?
yes
id
3aa95e7a-05bd-4f06-a4ae-2e8b164aae06
date added to LUP
2020-02-24 16:02:03
date last changed
2024-05-01 06:19:54
@article{3aa95e7a-05bd-4f06-a4ae-2e8b164aae06,
  abstract     = {{<p>This work presents a photodissociation study of the diamondoid adamantane using extreme ultraviolet femtosecond pulses. The fragmentation dynamics of the dication is unraveled by the use of advanced ion and electron spectroscopy giving access to the dissociation channels as well as their energetics. To get insight into the fragmentation dynamics, we use a theoretical approach combining potential energy surface determination, statistical fragmentation methods and molecular dynamics simulations. We demonstrate that the dissociation dynamics of adamantane dications takes place in a two-step process: barrierless cage opening followed by Coulomb repulsion-driven fragmentation.</p>}},
  author       = {{Maclot, Sylvain and Lahl, Jan and Peschel, Jasper and Wikmark, Hampus and Rudawski, Piotr and Brunner, Fabian and Coudert-Alteirac, Hélène and Indrajith, Suvasthika and Huber, Bernd A and Díaz-Tendero, Sergio and Aguirre, Néstor F and Rousseau, Patrick and Johnsson, Per}},
  issn         = {{2045-2322}},
  language     = {{eng}},
  month        = {{02}},
  number       = {{1}},
  publisher    = {{Nature Publishing Group}},
  series       = {{Scientific Reports}},
  title        = {{Dissociation dynamics of the diamondoid adamantane upon photoionization by XUV femtosecond pulses}},
  url          = {{http://dx.doi.org/10.1038/s41598-020-59649-1}},
  doi          = {{10.1038/s41598-020-59649-1}},
  volume       = {{10}},
  year         = {{2020}},
}