Photofragmentation of gas-phase acetic acid and acetamide clusters in the vacuum ultraviolet region
(2017) In Journal of Chemical Physics 147(19).- Abstract
Photofragmentation of gas-phase acetamide and acetic acid clusters produced by a supersonic expansion source has been studied using time-of-flight mass spectrometry and the partial ion yield (PIY) technique combined with tunable vacuum-ultraviolet synchrotron radiation. Appearance energies of the clusters and their fragments were experimentally determined from the PIY measurements. The effect of clusterization conditions on the formation and fragmentation of acetic acid clusters was investigated. Ab initio quantum mechanical calculations were performed on both samples' dimers to find their neutral and ionized geometries as well as proton transfer energy barriers leading to the optimal geometries. In the case of the acetamide dimer, the... (More)
Photofragmentation of gas-phase acetamide and acetic acid clusters produced by a supersonic expansion source has been studied using time-of-flight mass spectrometry and the partial ion yield (PIY) technique combined with tunable vacuum-ultraviolet synchrotron radiation. Appearance energies of the clusters and their fragments were experimentally determined from the PIY measurements. The effect of clusterization conditions on the formation and fragmentation of acetic acid clusters was investigated. Ab initio quantum mechanical calculations were performed on both samples' dimers to find their neutral and ionized geometries as well as proton transfer energy barriers leading to the optimal geometries. In the case of the acetamide dimer, the reaction resulting in the production of ammoniated acetamide was probed, and the geometry of the obtained ion was calculated.
(Less)
- author
- organization
- publishing date
- 2017-11-21
- type
- Contribution to journal
- publication status
- published
- subject
- in
- Journal of Chemical Physics
- volume
- 147
- issue
- 19
- article number
- 194302
- publisher
- American Institute of Physics (AIP)
- external identifiers
-
- pmid:29166118
- wos:000415704700012
- scopus:85034260955
- ISSN
- 0021-9606
- DOI
- 10.1063/1.4999686
- language
- English
- LU publication?
- yes
- id
- 4a6ffdfb-50c7-433c-9f36-c0a9686b8a9f
- date added to LUP
- 2017-12-08 07:40:49
- date last changed
- 2024-01-14 12:04:12
@article{4a6ffdfb-50c7-433c-9f36-c0a9686b8a9f,
abstract = {{<p>Photofragmentation of gas-phase acetamide and acetic acid clusters produced by a supersonic expansion source has been studied using time-of-flight mass spectrometry and the partial ion yield (PIY) technique combined with tunable vacuum-ultraviolet synchrotron radiation. Appearance energies of the clusters and their fragments were experimentally determined from the PIY measurements. The effect of clusterization conditions on the formation and fragmentation of acetic acid clusters was investigated. Ab initio quantum mechanical calculations were performed on both samples' dimers to find their neutral and ionized geometries as well as proton transfer energy barriers leading to the optimal geometries. In the case of the acetamide dimer, the reaction resulting in the production of ammoniated acetamide was probed, and the geometry of the obtained ion was calculated.</p>}},
author = {{Berholts, Marta and Myllynen, Hanna and Kooser, Kuno and Itälä, Eero and Granroth, Sari and Levola, Helena and Laksman, Joakim and Oghbaiee, Shabnam and Oostenrijk, Bart and Nõmmiste, Ergo and Kukk, Edwin}},
issn = {{0021-9606}},
language = {{eng}},
month = {{11}},
number = {{19}},
publisher = {{American Institute of Physics (AIP)}},
series = {{Journal of Chemical Physics}},
title = {{Photofragmentation of gas-phase acetic acid and acetamide clusters in the vacuum ultraviolet region}},
url = {{http://dx.doi.org/10.1063/1.4999686}},
doi = {{10.1063/1.4999686}},
volume = {{147}},
year = {{2017}},
}