Quantum-Chemical Study of the Benzene Reaction with Fluorine

Quantum-Chemical Study of the Benzene Reaction with Fluorine

The reaction of benzene with fluorine atoms may be of interest as a source of phenyl and <i>ipso</i>-fluorocyclohexadienyl radicals or as a method for fluorobenzene gas phase synthesis. The structures and electronic energies of the equilibrium configurations and transition complexes of t...

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Bibliographic Details
Main Authors: Sergey O. Adamson, Daria D. Kharlampidi, Anastasia S. Shtyrkova, Stanislav Y. Umanskii, Yuri A. Dyakov, Igor I. Morozov, Maxim G. Golubkov
Format: Article
Language:English
Published: MDPI AG 2023-10-01
Series:Atoms
Subjects:
gas-phase reaction
reaction mechanism
reaction path Hamiltonian
benzene
atomic fluorine
density functional theory
Online Access:https://www.mdpi.com/2218-2004/11/10/132

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https://www.mdpi.com/2218-2004/11/10/132

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