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Resonant Inner-Shell Photofragmentation of Adamantane (C10H16)
Adamantane, the smallest diamondoid molecule with a symmetrical cage, contains two distinct carbon sites, CH and CH [Formula: see text]. The ionization/excitation of the molecule leads to the cage opening and strong structural reorganization. While theoretical predictions suggest that the carbon sit...
Autores principales: | , , , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2023
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10384773/ https://www.ncbi.nlm.nih.gov/pubmed/37513382 http://dx.doi.org/10.3390/molecules28145510 |
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author | Ganguly, Smita Gisselbrecht, Mathieu Eng-Johnsson, Per Feifel, Raimund Díaz-Tendero, Sergio Muchová, Eva Milosavljević, Aleksandar R. Rousseau, Patrick Maclot, Sylvain |
author_facet | Ganguly, Smita Gisselbrecht, Mathieu Eng-Johnsson, Per Feifel, Raimund Díaz-Tendero, Sergio Muchová, Eva Milosavljević, Aleksandar R. Rousseau, Patrick Maclot, Sylvain |
author_sort | Ganguly, Smita |
collection | PubMed |
description | Adamantane, the smallest diamondoid molecule with a symmetrical cage, contains two distinct carbon sites, CH and CH [Formula: see text]. 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 CH [Formula: see text] 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. |
format | Online Article Text |
id | pubmed-10384773 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2023 |
publisher | MDPI |
record_format | MEDLINE/PubMed |
spelling | pubmed-103847732023-07-30 Resonant Inner-Shell Photofragmentation of Adamantane (C10H16) Ganguly, Smita Gisselbrecht, Mathieu Eng-Johnsson, Per Feifel, Raimund Díaz-Tendero, Sergio Muchová, Eva Milosavljević, Aleksandar R. Rousseau, Patrick Maclot, Sylvain Molecules Article Adamantane, the smallest diamondoid molecule with a symmetrical cage, contains two distinct carbon sites, CH and CH [Formula: see text]. 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 CH [Formula: see text] 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. MDPI 2023-07-19 /pmc/articles/PMC10384773/ /pubmed/37513382 http://dx.doi.org/10.3390/molecules28145510 Text en © 2023 by the authors. https://creativecommons.org/licenses/by/4.0/Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/). |
spellingShingle | Article Ganguly, Smita Gisselbrecht, Mathieu Eng-Johnsson, Per Feifel, Raimund Díaz-Tendero, Sergio Muchová, Eva Milosavljević, Aleksandar R. Rousseau, Patrick Maclot, Sylvain Resonant Inner-Shell Photofragmentation of Adamantane (C10H16) |
title | Resonant Inner-Shell Photofragmentation of Adamantane (C10H16) |
title_full | Resonant Inner-Shell Photofragmentation of Adamantane (C10H16) |
title_fullStr | Resonant Inner-Shell Photofragmentation of Adamantane (C10H16) |
title_full_unstemmed | Resonant Inner-Shell Photofragmentation of Adamantane (C10H16) |
title_short | Resonant Inner-Shell Photofragmentation of Adamantane (C10H16) |
title_sort | resonant inner-shell photofragmentation of adamantane (c10h16) |
topic | Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10384773/ https://www.ncbi.nlm.nih.gov/pubmed/37513382 http://dx.doi.org/10.3390/molecules28145510 |
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