Resonant Inner-Shell Photofragmentation of Adamantane (C10H16)
(2023) In Molecules (Basel, Switzerland) 28(14).- Abstract
Adamantane, the smallest diamondoid molecule with a symmetrical cage, contains two distinct carbon sites, CH and CH2. The ionization/excitation of the molecule leads to the cage opening and strong structural reorganization. While theoretical predictions suggest that the carbon site CH primarily causes the cage opening, the role of the other CH2 site remains unclear. In this study, we used advanced experimental Auger electron-ion coincidence techniques and theoretical calculations to investigate the fragmentation dynamics of adamantane after resonant inner-shell photoexcitation. Our results demonstrate that some fragmentation channels exhibit site-sensitivity of the initial core-hole location, indicating that different carbon site... (More)
Adamantane, the smallest diamondoid molecule with a symmetrical cage, contains two distinct carbon sites, CH and CH2. The ionization/excitation of the molecule leads to the cage opening and strong structural reorganization. While theoretical predictions suggest that the carbon site CH primarily causes the cage opening, the role of the other CH2 site remains unclear. In this study, we used advanced experimental Auger electron-ion coincidence techniques and theoretical calculations to investigate the fragmentation dynamics of adamantane after resonant inner-shell photoexcitation. Our results demonstrate that some fragmentation channels exhibit site-sensitivity of the initial core-hole location, indicating that different carbon site excitations could lead to unique cage opening mechanisms.
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- author
- Ganguly, Smita LU ; Gisselbrecht, Mathieu LU ; Eng-Johnsson, Per LU ; Feifel, Raimund ; Díaz-Tendero, Sergio ; Muchová, Eva ; Milosavljević, Aleksandar R ; Rousseau, Patrick and Maclot, Sylvain LU
- organization
- publishing date
- 2023-07-19
- type
- Contribution to journal
- publication status
- published
- subject
- in
- Molecules (Basel, Switzerland)
- volume
- 28
- issue
- 14
- article number
- 5510
- publisher
- MDPI AG
- external identifiers
-
- scopus:85166260842
- pmid:37513382
- ISSN
- 1420-3049
- DOI
- 10.3390/molecules28145510
- language
- English
- LU publication?
- yes
- id
- 1a98cf1a-194e-434f-b8cc-4b4f2d6345ff
- date added to LUP
- 2023-08-07 13:55:08
- date last changed
- 2024-04-20 00:10:25
@article{1a98cf1a-194e-434f-b8cc-4b4f2d6345ff, abstract = {{<p>Adamantane, the smallest diamondoid molecule with a symmetrical cage, contains two distinct carbon sites, CH and CH2. The ionization/excitation of the molecule leads to the cage opening and strong structural reorganization. While theoretical predictions suggest that the carbon site CH primarily causes the cage opening, the role of the other CH2 site remains unclear. In this study, we used advanced experimental Auger electron-ion coincidence techniques and theoretical calculations to investigate the fragmentation dynamics of adamantane after resonant inner-shell photoexcitation. Our results demonstrate that some fragmentation channels exhibit site-sensitivity of the initial core-hole location, indicating that different carbon site excitations could lead to unique cage opening mechanisms.</p>}}, author = {{Ganguly, Smita and Gisselbrecht, Mathieu and Eng-Johnsson, Per and Feifel, Raimund and Díaz-Tendero, Sergio and Muchová, Eva and Milosavljević, Aleksandar R and Rousseau, Patrick and Maclot, Sylvain}}, issn = {{1420-3049}}, language = {{eng}}, month = {{07}}, number = {{14}}, publisher = {{MDPI AG}}, series = {{Molecules (Basel, Switzerland)}}, title = {{Resonant Inner-Shell Photofragmentation of Adamantane (C10H16)}}, url = {{http://dx.doi.org/10.3390/molecules28145510}}, doi = {{10.3390/molecules28145510}}, volume = {{28}}, year = {{2023}}, }