Titre :

The electronic structure of 2(5H)-thiophenone investigated by vacuum ultraviolet synchrotron radiation and theoretical calculations

Auteur(s) :

Kumar, Sarvesh [Auteur]
Chemical Sciences Division [LBNL Berkeley] [CSD]
Centro de Física e Investigação Tecnológica [Lisboa] [CEFITEC]
Duflot, Denis [Auteur]
Physico-Chimie Moléculaire Théorique [PCMT]
Jones, Nikola [Auteur]
Department of Physics and Astronomy [Aarhus]
Hoffmann, Søren [Auteur]
Department of Physics and Astronomy [Aarhus]
García, Gustavo [Auteur]
Instituto de Física Fundamental [Madrid] [IFF]
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

Pagination :

202

Éditeur :

EDP Sciences

Date de publication :

2023-11-27

ISSN :

1434-6060

Mot(s)-clé(s) en anglais :

2(5H)-thiophenone photoabsorption VUV cross-section Rydberg states
2(5H)-thiophenone
photoabsorption
VUV
cross-section
Rydberg states

Discipline(s) HAL :

Physique [physics]
Chimie/Chimie théorique et/ou physique

Résumé en anglais : [en]

The electronic state spectroscopy of 2(5H)-thiophenone, C₄H₄OS, has been investigated by high-resolution vacuum ultraviolet photoabsorption in the 3.76–10.69 eV energy range using synchrotron radiation, ...
Lire la suite >The electronic state spectroscopy of 2(5H)-thiophenone, C₄H₄OS, has been investigated by high-resolution vacuum ultraviolet photoabsorption in the 3.76–10.69 eV energy range using synchrotron radiation, together with novel quantum chemical calculations performed at the equation of motion coupled cluster singles and doubles (EOM-CCSD) level of theory. The major electronic transitions have been assigned to valence and Rydberg character, with relevant C=O, C=C and C–C stretching vibrations across the entire absorption spectrum. Photolysis lifetimes in the Earth’s atmosphere (0–50 km altitude) have been estimated from the absolute photoabsorption cross-sections, indicating that solar photolysis can be expected to be a strong sink mechanism. Graphical abstractLire moins >

Langue :

Anglais

Comité de lecture :

Oui

Audience :

Internationale

Vulgarisation :

Non

Projet ANR :

Physiques et Chimie de l'Environnement Atmosphérique

Collections :

• Laboratoire de Physique des Lasers, Atomes et Molécules (PhLAM) - UMR 8523

Source :

Harvested from HAL