Reorganization energies of methylamine radicals

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Abstract

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.

About the authors

Eugeny A. Miroshnichenko

N. N. Semenov Federal Research Center for Chemical Physics of the Russian Academy of Sciences

Author for correspondence.
Email: eamir02@mail.ru

Doctor of Science in chemistry, chief research scientist

Russian Federation, Moscow

Тatiana S. 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

Russian Federation, Moscow

Yury N. 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

Russian Federation, Moscow

Alexey B. 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

Russian Federation, Moscow

Jaroslav O. Inozemtsev

N. N. Semenov Federal Research Center for Chemical Physics of the Russian Academy of Sciences

Email: vectr1@yandex.ru

senior research scientist

Russian Federation, Moscow

Alexey V. Inozemtsev

N. N. Semenov Federal Research Center for Chemical Physics of the Russian Academy of Sciences

Email: vectr1@yandex.ru

research scientist

Russian Federation, Moscow

References

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  3. Luo, Y. 2007. Comprehensive handbook of chemical bond energies. Boca Raton – London – New York: CRC Press. 1655 p.
  4. 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.
  5. Bader, R. F. W. 1994. Atoms in molecules: A quantum theory. Oxford: Clarendon Press. 458 p.
  6. Pedley, J. B. 1994. Thermochemical data and structures of organic compounds. TRC data ser. 1st ed. CRC Press. 576 p.
  7. 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.

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