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Journal articles
Femtosecond dynamics of the 2-methylallyl radical: A computational and experimental study
A. Röder
1, 2, 3
K. Issler
3
L. Poisson
2, 1
A. Humeniuk
3
M. Wohlgemuth
3
M. Comte
4, 1
F. Lepetit
1, 4
I. Fischer
3
R. Mitric
3
J. Petersen
3
2
DyR - Dynamique Réactionnelle
IRAMIS - Institut Rayonnement Matière de Saclay, LIDyl - Laboratoire Interactions, Dynamiques et Lasers (ex SPAM)
4
SLIC - Serveurs Laser
IRAMIS - Institut Rayonnement Matière de Saclay, LIDyl - Laboratoire Interactions, Dynamiques et Lasers (ex SPAM)
A. Röder 1, 2, 3
Author
K. Issler 3
Author
L. Poisson 2, 1
Author IdHAL : lionel-poisson ResearcherId : http://www.researcherid.com/rid/A-6669-2008 ORCID : https://orcid.org/0000-0002-7131-968X
A. Humeniuk 3
Author
R. Mitric 3
Author
J. Petersen 3
Author
1
LIDyl - Laboratoire Interactions, Dynamiques et Lasers (ex SPAM) (LIDYL, CEA, CNRS, Université Paris-Saclay, CEA Saclay 91190 Gif sur Yvette - France)
- Université Paris-Saclay (Espace Technologique, Bat. Discovery - RD 128 - 2e ét., 91190 Saint-Aubin - France)
- CEA - Commissariat à l'énergie atomique et aux énergies alternatives : DRF/IRAMIS (Centre de Saclay Centre de Grenoble Centre de Cadarache etc - France)
- CNRS - Centre National de la Recherche Scientifique : UMR9222 (France)
2
DyR - Dynamique Réactionnelle (France)
- IRAMIS - Institut Rayonnement Matière de Saclay (91191 Gif-sur-Yvette, France - France)
- CEA - Commissariat à l'énergie atomique et aux énergies alternatives : DRF/IRAMIS (Centre de Saclay Centre de Grenoble Centre de Cadarache etc - France)
- Université Paris-Saclay (Espace Technologique, Bat. Discovery - RD 128 - 2e ét., 91190 Saint-Aubin - France)
- LIDyl - Laboratoire Interactions, Dynamiques et Lasers (ex SPAM) (LIDYL, CEA, CNRS, Université Paris-Saclay, CEA Saclay 91190 Gif sur Yvette - France)
- Université Paris-Saclay (Espace Technologique, Bat. Discovery - RD 128 - 2e ét., 91190 Saint-Aubin - France)
- CEA - Commissariat à l'énergie atomique et aux énergies alternatives : DRF/IRAMIS (Centre de Saclay Centre de Grenoble Centre de Cadarache etc - France)
- CNRS - Centre National de la Recherche Scientifique : UMR9222 (France)
3
Institute of Physical and Theoretical Chemistry (Germany)
- JMU - Julius-Maximilians-Universität Würzburg [Wurtzbourg, Allemagne] (Universität Würzburg, Sanderring 2, 97070 Würzburg - Germany)
4
SLIC - Serveurs Laser (France)
- IRAMIS - Institut Rayonnement Matière de Saclay (91191 Gif-sur-Yvette, France - France)
- CEA - Commissariat à l'énergie atomique et aux énergies alternatives : DRF/IRAMIS (Centre de Saclay Centre de Grenoble Centre de Cadarache etc - France)
- Université Paris-Saclay (Espace Technologique, Bat. Discovery - RD 128 - 2e ét., 91190 Saint-Aubin - France)
- LIDyl - Laboratoire Interactions, Dynamiques et Lasers (ex SPAM) (LIDYL, CEA, CNRS, Université Paris-Saclay, CEA Saclay 91190 Gif sur Yvette - France)
- Université Paris-Saclay (Espace Technologique, Bat. Discovery - RD 128 - 2e ét., 91190 Saint-Aubin - France)
- CEA - Commissariat à l'énergie atomique et aux énergies alternatives : DRF/IRAMIS (Centre de Saclay Centre de Grenoble Centre de Cadarache etc - France)
- CNRS - Centre National de la Recherche Scientifique : UMR9222 (France)
Abstract : We investigate the photodynamics of the 2-methylallyl radical by femtosecond time-resolved photoelectron imaging. The experiments are accompanied by field-induced surface hopping dynamics calculations and the simulation of time-resolved photoelectron intensities and anisotropies, giving insight into the photochemistry and nonradiative relaxation of the radical. 2-methylallyl is excited at 236 nm, 238 nm, and 240.6 nm into a 3p Rydberg state, and the subsequent dynamics is probed by multiphoton ionization using photons of 800 nm. The photoelectron image exhibits a prominent band with considerable anisotropy, which is compatible with the result of theory. The simulations show that the initially excited 3p state is rapidly depopulated to a 3s Rydberg state, from which photoelectrons of high anisotropy are produced. The 3s state then decays within several 100 fs to the D1 (nπ π) state, followed by the deactivation of the D1 to the electronic ground state on the ps time scale.
Document type :
Journal articles
Complete list of metadata
https://hal-cea.archives-ouvertes.fr/cea-01536711
Contributor : Caroline Lebe <>
Submitted on : Monday, June 12, 2017 - 10:53:25 AM
Last modification on : Saturday, May 1, 2021 - 3:51:56 AM
Contributor : Caroline Lebe <>
Submitted on : Monday, June 12, 2017 - 10:53:25 AM
Last modification on : Saturday, May 1, 2021 - 3:51:56 AM
Identifiers
- HAL Id : cea-01536711, version 1
- DOI : 10.1063/1.4974150
Collections
CEA | CNRS | IRAMIS-LIDYL | CEA-UPSAY | IRAMIS | GS-CHIMIE | GS-ENGINEERING
Citation
A. Röder, K. Issler, L. Poisson, A. Humeniuk, M. Wohlgemuth, et al.. Femtosecond dynamics of the 2-methylallyl radical: A computational and experimental study
. Journal of Chemical Physics, American Institute of Physics, 2017, 147, pp.013902. ⟨10.1063/1.4974150⟩. ⟨cea-01536711⟩
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