Refining the thermochemical properties of CF, SiF, and their cations by combining photoelectron spectroscopy, quantum chemical calculations, and the Active Thermochemical Tables approach-Reference-Cited by-同舟云学术

Refining the thermochemical properties of CF, SiF, and their cations by combining photoelectron spectroscopy, quantum chemical calculations, and the Active Thermochemical Tables approach

Published:2023 Issue:45 Volume:25 Page:30838-30847
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Jacovella Ugo¹^ORCID,Ruscic Branko²^ORCID,Chen Ning L.¹^ORCID,Le Hai-Linh¹^ORCID,Boyé-Péronne Séverine¹^ORCID,Hartweg Sebastian³^ORCID,Chowdhury Madhusree Roy³,Garcia Gustavo A.³^ORCID,Loison Jean-Christophe⁴^ORCID,Gans Bérenger¹^ORCID

Affiliation:

1. Université Paris-Saclay, CNRS, Institut des Sciences Moléculaires d'Orsay, 91405 Orsay, France

2. Chemical Sciences and Engineering Division, Argonne National Laboratory, Lemont, Illinois 60439, USA

3. Synchrotron SOLEIL, L’Orme des Merisiers, 91192 Saint Aubin, Gif-sur-Yvette, France

4. Université Bordeaux, CNRS, Bordeaux INP, ISM, UMR 5255, F-33400 Talence, France

Abstract

Thanks to combined ab initio calculations and experimental photoelectron studies of CF and SiF fluorinated radicals in the gas-phase, the thermochemical network of Active Thermochemical Tables was updated for these species and their cations.

Funder

Agence Nationale de la Recherche

Argonne National Laboratory

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2023/CP/D3CP04244H

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