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A Study of the Mechanism of Pyrolytic Decomposition of Methylsilane in the Gas Phase

  • TECHNOLOGY OF POLYMER AND COMPOSITE MATERIALS
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Abstract

The chemical reactions and mechanism of the pyrolytic decomposition of the isolated methylsilane molecule in the gas phase were theoretically studied. The thermodynamic parameters of the chemical reactions of decomposition of methylsilane (the changes in the energy, enthalpy, Gibbs energy, and entropy) were calculated by a nonempirical method using the second-order Móller–Plesset perturbation theory and the basis set of atomic orbitals 6-31G including additional polarization functions. It was determined that the chemical reactions that occur by the 1,2-elimination mechanism are preferred.

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Authors and Affiliations

  1. FGUP All-Russian Institute of Aviation Materials, State Scientific Center of the Russian Federation, 105005, Moscow, Russia

    D. V. Sidorov, A. A. Shavnev & A. V. Petrogradskii

  2. Lomonosov Institute of Fine Chemical Technology, FGBOU VO MIREA–Russian Technological University, 119454, Moscow, Russia

    A. D. Kirilin

Authors
  1. D. V. Sidorov
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  2. A. D. Kirilin
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  3. A. A. Shavnev
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  4. A. V. Petrogradskii
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Correspondence to A. D. Kirilin.

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Translated by V. Glyanchenko

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Sidorov, D.V., Kirilin, A.D., Shavnev, A.A. et al. A Study of the Mechanism of Pyrolytic Decomposition of Methylsilane in the Gas Phase. Theor Found Chem Eng 56, 554–559 (2022). https://doi.org/10.1134/S0040579522040169

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  • DOI: https://doi.org/10.1134/S0040579522040169

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