On the electronic structure of methyl ...
Type de document :
Compte-rendu et recension critique d'ouvrage
Titre :
On the electronic structure of methyl butyrate and methyl valerate
Auteur(s) :
Śmiałek, Małgorzata [Auteur correspondant]
Duflot, Denis [Auteur]
Physico-Chimie Moléculaire Théorique [PCMT]
Jones, Nykola [Auteur]
Department of Physics and Astronomy [Aarhus]
Hoffmann, Søren Vrønning [Auteur]
Centre for Storage Ring Facilities [Aarhus] [ISA]
Zuin, Lucia [Auteur]
Macdonald, Michael [Auteur]
Mason, Nigel [Auteur]
Limão-Vieira, Paulo [Auteur]
Centro de Física e Investigação Tecnológica [Lisboa] [CEFITEC]
Duflot, Denis [Auteur]
Physico-Chimie Moléculaire Théorique [PCMT]
Jones, Nykola [Auteur]
Department of Physics and Astronomy [Aarhus]
Hoffmann, Søren Vrønning [Auteur]
Centre for Storage Ring Facilities [Aarhus] [ISA]
Zuin, Lucia [Auteur]
Macdonald, Michael [Auteur]
Mason, Nigel [Auteur]
Limão-Vieira, Paulo [Auteur]
Centro de Física e Investigação Tecnológica [Lisboa] [CEFITEC]
Titre de la revue :
The European Physical Journal D : Atomic, molecular, optical and plasma physics
Éditeur :
EDP Sciences
Date de publication :
2020-04-14
ISSN :
1434-6060
Discipline(s) HAL :
Chimie/Chimie théorique et/ou physique
Physique [physics]/Physique [physics]/Chimie-Physique [physics.chem-ph]
Physique [physics]/Physique [physics]/Chimie-Physique [physics.chem-ph]
Résumé en anglais : [en]
We present novel results of the analysis of the electronic structure of two aliphatic esters: methylbutyrate and methyl valerate. High-resolution photoabsorption spectra were collected and analyzed over the energy range ...
Lire la suite >We present novel results of the analysis of the electronic structure of two aliphatic esters: methylbutyrate and methyl valerate. High-resolution photoabsorption spectra were collected and analyzed over the energy range 4.0–10.8 eV and showed for both the molecules not only a clear band of the HOMO to LUMO transition, but also vibronic structure associated with the first Rydberg-valence transition. Photoelectronspectra recorded from 9 to over 28 eV revealed many ionization states with the first adiabatic ionization energies found to be 9.977 eV and 9.959 eV for methyl butyrate and methyl valerate, respectively. Ab initio calculations have been performed in order to help assign the photoabsorption and photoelectron features.Photolysis life times in the atmosphere were calculated revealing that photolysis is not competitive overhydroxyl radical scavenging in the process of removal of these esters from the atmosphere.Lire moins >
Lire la suite >We present novel results of the analysis of the electronic structure of two aliphatic esters: methylbutyrate and methyl valerate. High-resolution photoabsorption spectra were collected and analyzed over the energy range 4.0–10.8 eV and showed for both the molecules not only a clear band of the HOMO to LUMO transition, but also vibronic structure associated with the first Rydberg-valence transition. Photoelectronspectra recorded from 9 to over 28 eV revealed many ionization states with the first adiabatic ionization energies found to be 9.977 eV and 9.959 eV for methyl butyrate and methyl valerate, respectively. Ab initio calculations have been performed in order to help assign the photoabsorption and photoelectron features.Photolysis life times in the atmosphere were calculated revealing that photolysis is not competitive overhydroxyl radical scavenging in the process of removal of these esters from the atmosphere.Lire moins >
Langue :
Anglais
Vulgarisation :
Non
Projet ANR :
Source :
Fichiers
- https://link.springer.com/content/pdf/10.1140/epjd/e2020-10125-5.pdf
- Accès libre
- Accéder au document
- e2020-10125-5.pdf
- Accès libre
- Accéder au document