Abstract
Dissociation energies of C–N3 bonds have been determined on the basis of data on the enthalpies of formation for a series of azido nitroaromatic compounds and the enthalpies of formation of radicals. Using fundamental relationships of chemical physics, a procedure has been suggested to calculate the energy of rearrangement of molecule fragments into radicals on the basis of special properties of rearrangement energy and the sums of average thermochemical energies for bonds comprising radical fragment in molecule. This calculation procedure provided a possibility to determine the energy of the N3 moiety transformation into N3 radical and the rearrangement energies of nitroaromatic radicals.
Article PDF
Similar content being viewed by others
Avoid common mistakes on your manuscript.
References
Miroshnichenko, E.A., Orlov, Yu.D., Konkova, T.S., and Matyushin, Y.N., and Berlin A.A., Dokl. Phys. Chem., 2015, vol. 465, no. 3, pp. 287–290.
Semenov, N.N., Onekotorykh problemakh khimicheskoi kinetiki i reaktsionnoi sposobnosti (On Some Problems of Chemical Kinetics and Reactivity), Moscow: Izd-vo AN SSSR, 1958.
Miroshnichenko, E.A., Pashchenko, L.L, Konkova, T.S., Matyushin, Y.N., and Berlin, A.A., Izv. Akad. Nauk, Ser. Khim., 2016, no 8, 1977–1980.
Bader, R.F.W., Atoms in Molecules: A Quantum Theory, Oxford: Oxford Univ. Press, 1990.
Turovtsev, V.V. and Orlov, Yu.D., Khim. Fiz., 2014, vol. 33, no. 7, pp. 29–31.
Turovtsev, V.V. and Orlov, Yu.D., Khim. Fiz., 2014, vol. 33, no. 8, pp. 3–9.
Turovtsev, V.V., Orlov, M.Yu., Turovtsev, R.V., and Orlov, Yu.D., Zh. Fiz. Khim., 2012, vol. 86, no. 7, pp. 1188–1193.
Pepekin, V.I., Erlikh, R.D., Matyushin, Y.N., and Lebedev, Y.A., Dokl. Akad. Nauk SSSR, 1974, vol. 214, no. 4, pp. 865–867.
Konkova, T.S., Miroshnichenko, E.A., Matyushin, Y.N., and Vorobev, A.B., Gorenie Vzryv, 2016, vol. 9, no. 2, pp. 136–145.
Suntsova, M.A. and Dorofeeva, O.V., J. Chem. Eng. Data, 2016, no. 1, pp. 313–329.
Luo, Y., Comprehensive Handbook of Chemical Bond Energies, Boca Raton: CRC Press, 2007.
Miroshnichenko, E.A., Konkova, T.S., Inozemtsev, Y.O., Vorobeva V.P., Matyushin, Y.N., and Shevelev, S.A., Izv. Akad. Nauk, Ser. Khim., 2009, no. 4. pp. 755–759.
Miroshnichenko, E.A., Konkova, T.S., Inozemtsev, Y.O., and Matyushin, Yu.N., Izv. Akad. Nauk, Ser. Khim., 2010, no. 5, pp. 870–874.
Manelis, G.B., Nazin, G.M., Rubtsov, Yu.I., and Strunin, V.A., Thermicheskoe razlozhenie i gorenie vzryvchatykh veschestv i porokhov (Thermal Decomposition and Combustion of Explosive Compounds and Powders), Moscow: Nauka, 1996.
CODATA Key Values for Thermodynamics, Final Report of the CODATA Task Group on Key Values for Thermodynamics, Cox, J.D., Wagman, D.D., Medvedev, V.A., Eds., New York, 1989.
Author information
Authors and Affiliations
Corresponding author
Additional information
Original Russian Text © E.A. Miroshnichenko, Yu.N. Matyushin, T.S. Kon’kova, Yu.D. Orlov, A.A. Berlin, 2017, published in Doklady Akademii Nauk, 2017, Vol. 477, No. 4, pp. 429–432.
Rights and permissions
About this article
Cite this article
Miroshnichenko, E.A., Matyushin, Y.N., Kon’kova, T.S. et al. Rearrangement energies for radicals of azido nitroaromatic compounds. Dokl Phys Chem 477, 212–215 (2017). https://doi.org/10.1134/S0012501617120028
Received:
Published:
Issue Date:
DOI: https://doi.org/10.1134/S0012501617120028