Dissociation dynamics of the diamondoid adamantane upon photoionization by XUV femtosecond pulses
(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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https://lup.lub.lu.se/record/3aa95e7a-05bd-4f06-a4ae-2e8b164aae06
- author
- organization
- publishing date
- 2020-02-19
- type
- Contribution to journal
- publication status
- published
- subject
- in
- Scientific Reports
- volume
- 10
- issue
- 1
- article number
- 2884
- publisher
- Nature Publishing Group
- external identifiers
-
- pmid:32076001
- scopus:85079806770
- 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
- 2024-10-02 22:10:40
@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}}, }