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Role of the electronic factor in catalytic decomposition of thiophene

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Abstract

The results of a quantum-chemical analysis of the activation of the thiophene molecule on the Pt(111) surface attest to a significant decrease in the energy gap between the highest filled electronic states of the metal and the lowest unoccupied molecular orbitals of thiophene. This promotes the dative transfer of electron density to the antibonding orbitals of the reactant and results in the catalytic degradation of the molecule at the C-S bonds under mild conditions. The results obtained are in satisfactory agreement with the data from an experimental investigation of the thiophene/Pt(111) system by the modern methods of the electronic spectroscopy of solid surfaces.

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Literature cited

  1. S. G. Gagarin, A. A. Krichko, and M. K. Yulin, “Investigation of the process of hydrodesulfurization with the use of the methods of mathematical experiment planning,” Khim. Tverd. Topi., No. 1, 89–93 (1975).

    Google Scholar 

  2. D. A. Agievskii, M. V. Landau, M. A. Kipins, and L. I. Pavlova, Sulfide Hydrogenation Catalysts Based on Molybdenum and Tungsten and Ways of Improving Them. A thematic Review [in Russian], TsNIITÉNeftekhim, Moscow (1982).

    Google Scholar 

  3. L. V. Gurvich, G. V. Karachevtsev, V. N. Kondrat'ev, et al., Bond Energies, Ionization Potentials, and Electron Affinity [in Russian], Nauka, Moscow (1974).

    Google Scholar 

  4. I. B. Bersuker, Electronic State and Properties of Coordination Compounds [in Russian], Khimiya, Leningrad (1976).

    Google Scholar 

  5. J. Stöhr, J. L. Gland, E. B. Kollin, et al, “Desulfurization and structural transformation of thiophene on the Pt(111) surface,” Phys. Rev. Lett.,53, No. 22, 2161–2164 (1984).

    Google Scholar 

  6. W. L. Jorgensen and L. Salem, Orbitale organischer Moleküle, Verlag Chem., Weinheim (1973).

    Google Scholar 

  7. C. N. R. Rao, P. K. Basu, and M. S. Hedge, “Systematic organic UV photoelectron spectroscopy,” Appl. Spectrosc. Rev.,15, No. 1, 1–193 (1979).

    Google Scholar 

  8. V. S. Fomenko, Emission Properties of Elements in Chemical Compounds [in Russian], Naukova Dumka, Kiev (1964).

    Google Scholar 

  9. W. M. Flicker, O. A. Mosher, and A. Kuppermann, “Triplet states of furan, thiophene, and pyrrole,” Chem. Phys., Lett.,38, No. 3, 489–492 (1976).

    Google Scholar 

  10. S. G. Gagarin, Yu. A. Teterin, V. M. Kulakov, and I. G. Fal'kov, “Investigation of the electronic state of platinum supported on γ-Al2O3“ Kinet. Katal.,22, No. 5, 1265–1272 (1981).

    Google Scholar 

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Authors and Affiliations

  1. Institute of Fossil Fuels, Moscow

    S. G. Gagarin, Yu. A. Teterin & Yu. V. Plekhanov

Authors
  1. S. G. Gagarin
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  2. Yu. A. Teterin
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  3. Yu. V. Plekhanov
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Translated from Teoreticheskaya i Éksperimental'naya Khimiya, Vol. 25, No. 3, pp. 360–363, May–June, 1989.

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Gagarin, S.G., Teterin, Y.A. & Plekhanov, Y.V. Role of the electronic factor in catalytic decomposition of thiophene. Theor Exp Chem 25, 335–338 (1989). https://doi.org/10.1007/BF01299016

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  • DOI: https://doi.org/10.1007/BF01299016

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