Molecular, spectroscopic and thermochemical characterization of C2Cl3, C2F3 and C2Br3 radicals and related species

Molecular, spectroscopic and thermochemical characterization of C2Cl3, C2F3 and C2Br3 radicals and related species

This work reports a detailed theoretical study of the molecular parameters, harmonic vibrational frequencies, UV absorption spectra and standard enthalpies of formation for the radicals C2X3 (with X = F, Cl and Br) and a comparison with the corresponding determinations for the rest of the members of...

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Bibliographic Details
Main Authors: María Liz Ferreira, Franco Ignacio Dubois, María Eugenia Tucceri, María Paula Badenes
Format: Article
Language:English
Published: The Royal Society 2024-11-01
Series:Royal Society Open Science
Subjects:
quantum-chemical calculations
standard enthalpy of formation
UV absorption spectra
trifluoroethenyl radical
trichloroethenyl radical
tribromoethenyl radical
Online Access:https://royalsocietypublishing.org/doi/10.1098/rsos.240448
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https://royalsocietypublishing.org/doi/10.1098/rsos.240448

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