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Energy characteristics of chemical bonds and radical reorganizations

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Abstract

Based on relationships between the mean thermochemical bond energies (MTBEs), bond dissociation energies, and enthalpies of atomization, a method have been proposed for calculation of MTBEs and the energies of reorganization of molecular fragments into radicals (radical reorganization energies) in the course of a monomolecular radical decomposition reaction. The method makes it possible to calculate the radical reorganization energies and MTBEs of organic and organometallic compounds, including polyradicals and aromatic compounds.

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Authors and Affiliations

  1. Semenov Institute of Chemical Physics, Russian Academy of Sciences, ul. Kosygina 4, Moscow, 119991, Russia

    E. A. Miroshnichenko, Yu. D. Orlov, T. S. Kon’kova, Yu. N. Matyushin & A. A. Berlin

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  1. E. A. Miroshnichenko
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  2. Yu. D. Orlov
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  3. T. S. Kon’kova
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  4. Yu. N. Matyushin
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  5. A. A. Berlin
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Corresponding author

Correspondence to E. A. Miroshnichenko.

Additional information

Original Russian Text © E.A. Miroshnichenko, Yu.D. Orlov, T.S. Kon’kova, Yu.N. Matyushin, A.A. Berlin, 2015, published in Doklady Akademii Nauk, 2015, Vol. 465, No. 3, pp. 325–328.

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Miroshnichenko, E.A., Orlov, Y.D., Kon’kova, T.S. et al. Energy characteristics of chemical bonds and radical reorganizations. Dokl Phys Chem 465, 287–290 (2015). https://doi.org/10.1134/S0012501615110081

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  • DOI: https://doi.org/10.1134/S0012501615110081

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