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Mechanisms of High-Temperature Isomerization Reactions of Orto-, Meta, and Para-Difluorobenzene Isomers
- Authors: Tomilin O.B.1, Fomina L.V.1, Rodionova E.V.1
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Affiliations:
- National Research Mordovia State University
- Issue: Vol 61, No 9 (2025)
- Pages: 1385-1389
- Section: ЭКСПЕРИМЕНТАЛЬНЫЕ СТАТЬИ
- URL: https://journals.rcsi.science/0514-7492/article/view/380409
- DOI: https://doi.org/10.7868/S3034630425090125
- ID: 380409
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Abstract
The mechanism of high-temperature isomerization reactions of ortho-, meta-, and para-isomers of C6H4F2 was determined by using the DFT/B3LYP/6-31G(d) method. It was shown the rate-limiting steps of these processes are the dearomatization of difluorobenzenes with the formation of benzvalene-type compounds.
About the authors
O. B. Tomilin
National Research Mordovia State University
Email: rodionova_j87@mail.ru
ORCID iD: 0000-0002-1570-230X
ul. Bolshevistskaya, 68B, Saransk, 430005 Russia
L. V. Fomina
National Research Mordovia State University
Email: rodionova_j87@mail.ru
ORCID iD: 0000-0002-3971-6714
ul. Bolshevistskaya, 68B, Saransk, 430005 Russia
E. V. Rodionova
National Research Mordovia State University
Email: rodionova_j87@mail.ru
ORCID iD: 0000-0001-7921-2732
ul. Bolshevistskaya, 68B, Saransk, 430005 Russia
References
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