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Understanding the kinetics and atmospheric degradation mechanism of chlorotrifluoroethylene (CF2CFCl) initiated by OH radicals

Authors :
Saber Safari Balsini
Abolfazl Shiroudi
Farhad Hatamjafari
Ehsan Zahedi
Khalil Pourshamsian
Ahmad Reza Oliaey
Source :
Physical Chemistry Chemical Physics. 25:13630-13644
Publication Year :
2023
Publisher :
Royal Society of Chemistry (RSC), 2023.

Abstract

The atmospheric degradation mechanism kinetics of chlorotrifluoroethylene (CTFE), which is initiated by OH˙ and results in a variety of chemical oxidation products, were investigated using density functional theory (DFT) with the aug-cc-pVTZ basis set.

Details

ISSN :
14639084 and 14639076
Volume :
25
Database :
OpenAIRE
Journal :
Physical Chemistry Chemical Physics
Accession number :
edsair.doi...........3c94620bb3f94c8983aebbb9fffe4e74
Full Text :
https://doi.org/10.1039/d3cp00161j