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Resonant Inner-Shell Photofragmentation of Adamantane (C10H16)

Ganguly, Smita LU ; Gisselbrecht, Mathieu LU orcid ; Eng-Johnsson, Per LU orcid ; Feifel, Raimund ; Díaz-Tendero, Sergio ; Muchová, Eva ; Milosavljević, Aleksandar R ; Rousseau, Patrick and Maclot, Sylvain LU (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
; ; ; ; ; ; ; and
organization
publishing date
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}},
}