Absolute photoabsorption cross-sections ...
Type de document :
Compte-rendu et recension critique d'ouvrage
DOI :
Titre :
Absolute photoabsorption cross-sections of methanol for terrestrial and astrophysical relevance
Auteur(s) :
Lange, Emanuele [Auteur]
Centro de Física e Investigação Tecnológica [Lisboa] [CEFITEC]
Lozano, Ana Isabel [Auteur]
Centro de Física e Investigação Tecnológica [Lisboa] [CEFITEC]
Jones, Nykola [Auteur]
Centre for Storage Ring Facilities [Aarhus] [ISA]
Hoffmann, Søren Vrønning Vrønning [Auteur]
Centre for Storage Ring Facilities [Aarhus] [ISA]
Kumar, Sarvesh [Auteur]
Centro de Física e Investigação Tecnológica [Lisboa] [CEFITEC]
Śmiałek-Telega, Malgorzata Anna [Auteur]
Duflot, Denis [Auteur correspondant]
Physico-Chimie Moléculaire Théorique [PCMT]
Brunger, Michael [Auteur]
Limao-Vieira, Paulo [Auteur correspondant]
Centro de Física e Investigação Tecnológica [Lisboa] [CEFITEC]
Centro de Física e Investigação Tecnológica [Lisboa] [CEFITEC]
Lozano, Ana Isabel [Auteur]
Centro de Física e Investigação Tecnológica [Lisboa] [CEFITEC]
Jones, Nykola [Auteur]
Centre for Storage Ring Facilities [Aarhus] [ISA]
Hoffmann, Søren Vrønning Vrønning [Auteur]
Centre for Storage Ring Facilities [Aarhus] [ISA]
Kumar, Sarvesh [Auteur]
Centro de Física e Investigação Tecnológica [Lisboa] [CEFITEC]
Śmiałek-Telega, Malgorzata Anna [Auteur]
Duflot, Denis [Auteur correspondant]
Physico-Chimie Moléculaire Théorique [PCMT]
Brunger, Michael [Auteur]
Limao-Vieira, Paulo [Auteur correspondant]
Centro de Física e Investigação Tecnológica [Lisboa] [CEFITEC]
Titre de la revue :
Journal of Physical Chemistry A
Pagination :
8496-8508
Éditeur :
American Chemical Society
Date de publication :
2020-10-15
ISSN :
1089-5639
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 investigate the methanol absorption spectrum in the range 5.5–10.8 eV in order to provide accurate and absolute cross-sections values. The main goal of this study is to provide a comprehensive analysis of methanol’s ...
Lire la suite >We investigate the methanol absorption spectrum in the range 5.5–10.8 eV in order to provide accurate and absolute cross-sections values. The main goal of this study is to provide a comprehensive analysis of methanol’s electronic state spectroscopy by employing high-resolution vacuum ultraviolet (VUV) photoabsorption measurements together with state-of-the art quantum chemical calculation methods. The VUV spectrum reveals several new features that are not previously reported in the literature, for n > 3 in the transitions (nsσ(a')←(2a")) (<sup>1</sup>A'←X<sup>1</sup>A') and (nsσ, npσ, nsσ', ndσ ← (7a')) (<sup>1</sup>1A' ← X<sup>1</sup>A'), and with particular relevance to vibrational progressions of the CH<sub>3</sub> rocking mode, ν'<sub>11</sub> (a"), mode in the (3pπ(a")←(2a")) (<sup>1</sup>A' ← X<sup>1</sup>A') absorption band at 8.318 eV. The measured absolute photoabsorption cross sections have subsequently been used to calculate the photolysis lifetime of methanol in the Earth’s atmosphere from the ground level up to the limit of the stratosphere (50 km altitude).This shows that solar photolysis plays a negligible role in the removal of methanol from the lower atmosphere compared with competing sink mechanisms. Torsional potential energy scans, as a function of the internal rotation angle for the ground and first Rydberg states have also been calculated as part of this investigationLire moins >
Lire la suite >We investigate the methanol absorption spectrum in the range 5.5–10.8 eV in order to provide accurate and absolute cross-sections values. The main goal of this study is to provide a comprehensive analysis of methanol’s electronic state spectroscopy by employing high-resolution vacuum ultraviolet (VUV) photoabsorption measurements together with state-of-the art quantum chemical calculation methods. The VUV spectrum reveals several new features that are not previously reported in the literature, for n > 3 in the transitions (nsσ(a')←(2a")) (<sup>1</sup>A'←X<sup>1</sup>A') and (nsσ, npσ, nsσ', ndσ ← (7a')) (<sup>1</sup>1A' ← X<sup>1</sup>A'), and with particular relevance to vibrational progressions of the CH<sub>3</sub> rocking mode, ν'<sub>11</sub> (a"), mode in the (3pπ(a")←(2a")) (<sup>1</sup>A' ← X<sup>1</sup>A') absorption band at 8.318 eV. The measured absolute photoabsorption cross sections have subsequently been used to calculate the photolysis lifetime of methanol in the Earth’s atmosphere from the ground level up to the limit of the stratosphere (50 km altitude).This shows that solar photolysis plays a negligible role in the removal of methanol from the lower atmosphere compared with competing sink mechanisms. Torsional potential energy scans, as a function of the internal rotation angle for the ground and first Rydberg states have also been calculated as part of this investigationLire moins >
Langue :
Anglais
Vulgarisation :
Non
Projet ANR :
Source :
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