Skip to main content
SpringerLink
Log in

Investigating the electronic structure of tetramethylsilane by means of X-ray spectroscopy and theoretical calculations

  • Proceedings of the International Symposium “Ordering in Minerals and Alloys” OMA-17 and Proceedings of the International Symposium “Order, Disorder, and Properties of Oxides” ODPO-17
  • Published:
Bulletin of the Russian Academy of Sciences: Physics Aims and scope

Abstract

The electronic structure of a tetramethylsilane molecule Si(CH3)4 is studied via X-ray fluorescence spectroscopy and simulations based on the density functional theory. An analysis of the molecular orbitals is conducted on the basis of the calculations, and a theoretical Si\({k_{{\beta _1}}}\) X-ray fluorescence spectrum is constructed that appears to be in good agreement with the experimental findings. The main types of chemical interactions between the silicon atoms and carbon atoms of methyl groups are revealed.

This is a preview of subscription content, log in via an institution to check access.

Access this article

Log in via an institution

Price excludes VAT (USA)
Tax calculation will be finalised during checkout.

Instant access to the full article PDF.

Institutional subscriptions

Similar content being viewed by others

References

  1. Nefedov, V.I., Valentnye elektronnye urovni khimicheskikh soedinenii (Valent Electronic Levels for Chemical Compounds), Moscow: VINITI, 1975.

    Google Scholar 

  2. Zemlyanov, A.P., Study of the fluorescent K-spectrum of silicon atom in compounds, Cand. Sci. (Phys.–Math.) Dissertation, Rostov-on-Don: Rostov State Univ., 1972.

    Google Scholar 

  3. Zemlyanov, A.P., Shuvaev, A.T., Krivitskii, V.V., and Voronkov, M.G., Izv. Akad. Nauk SSSR, Ser. Fiz., 1972, vol. 36, p. 232.

    Google Scholar 

  4. Zemlyanov, A.P., Shuvaev, A.T., Krivickij, V.V., and Voronkov, M.G., Bull. Acad. Sci. USSR, Phys. Ser., 1972, vol. 36, p. 232.

    Google Scholar 

  5. Shuvaev, A.T., Zemlyanov, A.P., Kolodyazhnyi, Yu.V., Osipov, O.A., Tatevosyan, M.M., Eliseev, V.N., and Morgunova, M.M., Izv. Akad. Nauk SSSR, Ser. Fiz., 1974, vol. 38, no. 3, p. 541.

    Google Scholar 

  6. Shuvaev, A.T., Zemlyanov, A.P., Kolodyazhnyi, Yu.V., Osipov, O.A., Tatevosyan, M.M., Eliseev, V.N., and Morgunova, M.M., Bull. Acad. Sci. USSR, Phys. Ser., 1974, vol. 38, no. 3, p. 232.

    Google Scholar 

  7. Tatevosyan, M.M., Shuvaev, A.T., Zemlyanov, A.P., Kolodyazhnyi, Yu.V., Osipov, O.A., and Krasnova, T.M., J. Struct. Chem., 1977, vol. 18, no. 4, p. 543.

    Article  Google Scholar 

  8. Shuvaev, A.T., Tatevosyan, M.M., Kopylov, V.M., and Kharabaev, N.N., Teor. Eksp., 1984, vol. 20, no. 3, p. 369.

    Google Scholar 

  9. Tatevosyan, M.M., X-ray spectroscopic study of electron structure of silicon organic compounds, Cand. Sci. (Phys.–Math.) Dissertation, Rostov-on-Don: Rostov State Univ., 1980.

    Google Scholar 

  10. Bice, J.E., Tan, K.H., Bancroft, G.M., and Tset, J.S., Inorg. Chem., 1987, vol. 26, p. 4106.

    Article  Google Scholar 

  11. Sutherland, D.G.J., Xiong, J.Z., Liu, Z., et al., Organometallics, 1994, vol. 13, p. 3671.

    Article  Google Scholar 

  12. Danilenko, T.N., Tatevosyan, M.M., and Vlasenko, V.G., J. Struct. Chem., 2012, vol. 53, no. 5, p. 876.

    Article  Google Scholar 

  13. Danilenko, T.N., Tatevosyan, M.M., and Vlasenko, V.G., Phys. Solid State, 2012, vol. 54, p. 2100.

    Article  ADS  Google Scholar 

  14. Danilenko, T.N., Vlasenko, V.G., and Tatevosyan, M.M., Phys. Solid State, 2013, vol. 55, p. 2582.

    Article  ADS  Google Scholar 

  15. Blokhin, M.A., Metody rentgenospektral’nykh issledovanii (X-Ray Spectroscopic Research Methods), Moscow: Fizmatgiz, 1959.

    Google Scholar 

  16. Frisch, M.J., Trucks, G.W., Schlegel, H.B., et al., Gaussian 03, Revision A.1, 2003.

    Google Scholar 

  17. Lee, C., Yang, W., and Parr, R.G., Phys. Rev., 1988, vol. 37, p. 785.

    Article  ADS  Google Scholar 

  18. Becke, A.D., J. Chem. Phys., 1993, vol. 98, p. 5648.

    Article  ADS  Google Scholar 

  19. Gajda, R. and Katrusiak, A., Cryst. Growth Des., 2008, vol. 8, p. 211.

    Article  Google Scholar 

  20. Wolf, A.K., Glinnemann, J., Fink, L., Alig, E., Bolte, M., and Schmidt, M.U., Acta Crystallogr., Sect. B: Struct. Sci., 2010, vol. 66, p. 22.

    Article  Google Scholar 

  21. Mazalov, L.N., Rentgenovskie spektry (X-Ray Spectra), Novosibirsk: Inst. Neorg. Khim., 2003.

    Google Scholar 

  22. Chizhov, Yu.V., Molecular photoelectronic spectroscopy and calculations of chromium and ferrum p-complexes by the density functional theory method, Doctoral (Phys.–Math.) Dissertation, St. Petersburg: S.-Peterb. Gos. Univ., 2009.

    Google Scholar 

Download references

Author information

Authors and Affiliations

  1. Research Institute of Physics, Southern Federal University, Rostov-on-Don, 344090, Russia

    T. N. Danilenko, M. M. Tatevosyan & V. G. Vlasenko

Authors
  1. T. N. Danilenko
    View author publications

    You can also search for this author in PubMed Google Scholar

  2. M. M. Tatevosyan
    View author publications

    You can also search for this author in PubMed Google Scholar

  3. V. G. Vlasenko
    View author publications

    You can also search for this author in PubMed Google Scholar

Corresponding author

Correspondence to T. N. Danilenko.

Additional information

Original Russian Text © T.N. Danilenko, M.M. Tatevosyan, V.G. Vlasenko, 2015, published in Izvestiya Rossiiskoi Akademii Nauk. Seriya Fizicheskaya, 2015, Vol. 79, No. 11, pp. 1573–1576.

About this article

Check for updates. Verify currency and authenticity via CrossMark

Cite this article

Danilenko, T.N., Tatevosyan, M.M. & Vlasenko, V.G. Investigating the electronic structure of tetramethylsilane by means of X-ray spectroscopy and theoretical calculations. Bull. Russ. Acad. Sci. Phys. 79, 1376–1379 (2015). https://doi.org/10.3103/S1062873815110064

Download citation

  • Published:

  • Issue Date:

  • DOI: https://doi.org/10.3103/S1062873815110064

Keywords

Search

Navigation