Reorganization energies of methylamine radicals
- Autores: Miroshnichenko E.A.1, Kon’kova Т.S.1, Matyushin Y.N.1, Vorob’ev A.B.1, Inozemtsev J.O.1, Inozemtsev A.V.1
-
Afiliações:
- N. N. Semenov Federal Research Center for Chemical Physics of the Russian Academy of Sciences
- Edição: Volume 15, Nº 3 (2022)
- Páginas: 117-120
- Seção: Articles
- URL: https://ogarev-online.ru/2305-9117/article/view/286677
- DOI: https://doi.org/10.30826/CE22150312
- EDN: https://elibrary.ru/KUBXFX
- ID: 286677
Citar
Resumo
To calculate the energy of the reorganization of methylamine radicals, the enthalpy of formation in the gas phase of the corresponding compounds and the enthalpies of formation of amine radicals have been used. The specifics of these compounds lies in the fact that each radical can be investigated through hydrogen derivatives and through methyl derivatives, i. e., to determine the reorganization energies of radicals through independent enthalpies of the formation of composition in the gas phase and to determine the average values. The obtained values made it possible to determine the dissociation energies and the average thermochemical bond energies (C–H and C–N) in methylamines derivatives.
Sobre autores
Eugeny Miroshnichenko
N. N. Semenov Federal Research Center for Chemical Physics of the Russian Academy of Sciences
Autor responsável pela correspondência
Email: eamir02@mail.ru
Doctor of Science in chemistry, chief research scientist
Rússia, MoscowТatiana Kon’kova
N. N. Semenov Federal Research Center for Chemical Physics of the Russian Academy of Sciences
Email: taskon@mail.ru
Doctor of Science in chemistry, chief research scientist
Rússia, MoscowYury Matyushin
N. N. Semenov Federal Research Center for Chemical Physics of the Russian Academy of Sciences
Email: ynm07@mail.ru
Doctor of Science in technology, head of laboratory
Rússia, MoscowAlexey Vorob’ev
N. N. Semenov Federal Research Center for Chemical Physics of the Russian Academy of Sciences
Email: ynm07@mail.ru
Candidate of Science in technology, senior research scientist
Rússia, MoscowJaroslav Inozemtsev
N. N. Semenov Federal Research Center for Chemical Physics of the Russian Academy of Sciences
Email: vectr1@yandex.ru
senior research scientist
Rússia, MoscowAlexey Inozemtsev
N. N. Semenov Federal Research Center for Chemical Physics of the Russian Academy of Sciences
Email: vectr1@yandex.ru
research scientist
Rússia, MoscowBibliografia
- Semenov, N. N. 1958. O nekotorykh problemakh khimicheskoy kinetiki i reaktsionnoy sposobnosti [On some problems of chemical kinetics and reactiviti]. Moscow: USSR AS Publs. 686 p.
- Orlov, Y. D., Y.A. Lebedev, and I. S. Saifullin. 2001. Termokhimiya organicheskikh svobodnykh radikalov [Thermochemistry of organic free radicals]. Moscow: Nauka. 304 p.
- Luo, Y. 2007. Comprehensive handbook of chemical bond energies. Boca Raton – London – New York: CRC Press. 1655 p.
- Miroshnichenko, Е. А., Yu. D. Orlov, T. S. Kon’kova, Yu. N. Matyushin, and А. А. Berlin. 2015. Energy characteristics of chemical bonds and radical reorganizations. Dokl. Phys. Chem. 465(1):287–290.
- Bader, R. F. W. 1994. Atoms in molecules: A quantum theory. Oxford: Clarendon Press. 458 p.
- Pedley, J. B. 1994. Thermochemical data and structures of organic compounds. TRC data ser. 1st ed. CRC Press. 576 p.
- Cox, J. D., D. D. Wagman, and V. A. Medvedev, eds. 1989. CODATA key values for thermodynamics. New York, Washington, Philadelphia, London: Hemisphere Publishing Corp. 285 p.
Arquivos suplementares
