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Modeling of the effect of surface electronic polarization on relative bond strengths in the alkyl sulfides

  • Physical Chemistry
  • Published:
Bulletin of the Academy of Sciences of the USSR, Division of chemical science Aims and scope

Conclusions

  1. 1.

    Quantum-chemical calculations show that selective weakening of the bond between the carbon and sulfur atoms in the alkyl sulfides can be achieved through electron-acceptor action.

  2. 2.

    The possibility of a two-step mechanism of catalytic cracking of the alkyl sulfides has been demonstrated. This involves formation of a chemisorbed complex with stabilization of the vacant orbital and subsequent capture of a thermal electron from the catalyst by the complex.

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Translated from Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, No. 1, pp. 31–36, January, 1979.

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Gagarin, S.G., Zakharyan, R.Z. Modeling of the effect of surface electronic polarization on relative bond strengths in the alkyl sulfides. Russ Chem Bull 28, 23–28 (1979). https://doi.org/10.1007/BF00925391

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  • DOI: https://doi.org/10.1007/BF00925391

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