Threshold photoelectron spectroscopy of ...
Document type :
Article dans une revue scientifique: Article original
DOI :
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Title :
Threshold photoelectron spectroscopy of the HO2 radical
Author(s) :
Tang, Xiaofeng [Auteur]
Anhui Institute of Optics and Fine Mechanics
Lin, Xiaoxiao [Auteur]
Anhui Institute of Optics and Fine Mechanics
Garcia, Gustavo A. [Auteur]
Synchrotron SOLEIL [SSOLEIL]
Loison, Jean-Christophe [Auteur]
Institut des Sciences Moléculaires [ISM]
Fittschen, Christa [Auteur]
Physicochimie des Processus de Combustion et de l’Atmosphère - UMR 8522 [PC2A]
Röder, Anja [Auteur]
University of Ottawa [Ottawa]
Schleier, Domenik [Auteur]
University of Ottawa [Ottawa]
Gu, Xuejun [Auteur]
Anhui Institute of Optics and Fine Mechanics
Zhang, Weijun [Auteur]
Anhui Institute of Optics and Fine Mechanics
Nahon, Laurent [Auteur]
Synchrotron SOLEIL [SSOLEIL]
Anhui Institute of Optics and Fine Mechanics
Lin, Xiaoxiao [Auteur]
Anhui Institute of Optics and Fine Mechanics
Garcia, Gustavo A. [Auteur]
Synchrotron SOLEIL [SSOLEIL]
Loison, Jean-Christophe [Auteur]
Institut des Sciences Moléculaires [ISM]
Fittschen, Christa [Auteur]
Physicochimie des Processus de Combustion et de l’Atmosphère - UMR 8522 [PC2A]
Röder, Anja [Auteur]
University of Ottawa [Ottawa]
Schleier, Domenik [Auteur]
University of Ottawa [Ottawa]
Gu, Xuejun [Auteur]
Anhui Institute of Optics and Fine Mechanics
Zhang, Weijun [Auteur]
Anhui Institute of Optics and Fine Mechanics
Nahon, Laurent [Auteur]
Synchrotron SOLEIL [SSOLEIL]
Journal title :
The Journal of Chemical Physics
Abbreviated title :
J. Chem. Phys.
Volume number :
153
Publisher :
AIP Publishing
Publication date :
2020-09-28
HAL domain(s) :
Physique [physics]/Physique [physics]/Chimie-Physique [physics.chem-ph]
Chimie/Chimie théorique et/ou physique
Chimie/Chimie théorique et/ou physique
English abstract : [en]
We report a synchrotron radiation vacuum ultraviolet photoionization study of the hydroperoxyl radical (HO2), a key reaction intermediatein combustion and atmospheric chemistry as well as astrochemistry, using double imaging ...
Show more >We report a synchrotron radiation vacuum ultraviolet photoionization study of the hydroperoxyl radical (HO2), a key reaction intermediatein combustion and atmospheric chemistry as well as astrochemistry, using double imaging photoelectron photoion coincidence spectroscopy.The HO2radical is formed in a microwave discharge flow tube reactor through a set of reactions initiated by F atoms in a CH4/O2/He gasmixture. The high-resolution threshold photoelectron spectrum of HO2in the 11 eV–12 eV energy range is acquired without interferencesfrom other species and assigned with the aid of theoretically calculated adiabatic ionization energies (AIEs) and Franck–Condon factors. Thethree vibrational modes of the radical cation HO2+, the H–O stretch, the H–O–O bend, and the O–O stretch, have been identified, and theirindividual frequencies are measured. In addition, the AIEs of the X3A′′ground state and the a1A′first excited electronic state of HO2+areexperimentally determined at 11.359±0.003 eV and 11.639±0.005 eV, respectively, in agreement with high-level theoretically computedresults. Furthermore, the former AIE value provides validation of thermochemical networks used to extract the enthalpy of formation of theHO2radical.Show less >
Show more >We report a synchrotron radiation vacuum ultraviolet photoionization study of the hydroperoxyl radical (HO2), a key reaction intermediatein combustion and atmospheric chemistry as well as astrochemistry, using double imaging photoelectron photoion coincidence spectroscopy.The HO2radical is formed in a microwave discharge flow tube reactor through a set of reactions initiated by F atoms in a CH4/O2/He gasmixture. The high-resolution threshold photoelectron spectrum of HO2in the 11 eV–12 eV energy range is acquired without interferencesfrom other species and assigned with the aid of theoretically calculated adiabatic ionization energies (AIEs) and Franck–Condon factors. Thethree vibrational modes of the radical cation HO2+, the H–O stretch, the H–O–O bend, and the O–O stretch, have been identified, and theirindividual frequencies are measured. In addition, the AIEs of the X3A′′ground state and the a1A′first excited electronic state of HO2+areexperimentally determined at 11.359±0.003 eV and 11.639±0.005 eV, respectively, in agreement with high-level theoretically computedresults. Furthermore, the former AIE value provides validation of thermochemical networks used to extract the enthalpy of formation of theHO2radical.Show less >
Language :
Anglais
Peer reviewed article :
Oui
Audience :
Non spécifiée
Administrative institution(s) :
Université de Lille
CNRS
CNRS
Research team(s) :
PhysicoChimie de l'Atmosphère (PCA)
Submission date :
2020-10-07T14:11:05Z
2020-10-08T06:45:25Z
2020-10-08T06:45:25Z
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