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.
Article PDF
Similar content being viewed by others
Avoid common mistakes on your manuscript.
References
Nefedov, V.I., Valentnye elektronnye urovni khimicheskikh soedinenii (Valent Electronic Levels for Chemical Compounds), Moscow: VINITI, 1975.
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.
Zemlyanov, A.P., Shuvaev, A.T., Krivitskii, V.V., and Voronkov, M.G., Izv. Akad. Nauk SSSR, Ser. Fiz., 1972, vol. 36, p. 232.
Zemlyanov, A.P., Shuvaev, A.T., Krivickij, V.V., and Voronkov, M.G., Bull. Acad. Sci. USSR, Phys. Ser., 1972, vol. 36, p. 232.
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.
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.
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.
Shuvaev, A.T., Tatevosyan, M.M., Kopylov, V.M., and Kharabaev, N.N., Teor. Eksp., 1984, vol. 20, no. 3, p. 369.
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.
Bice, J.E., Tan, K.H., Bancroft, G.M., and Tset, J.S., Inorg. Chem., 1987, vol. 26, p. 4106.
Sutherland, D.G.J., Xiong, J.Z., Liu, Z., et al., Organometallics, 1994, vol. 13, p. 3671.
Danilenko, T.N., Tatevosyan, M.M., and Vlasenko, V.G., J. Struct. Chem., 2012, vol. 53, no. 5, p. 876.
Danilenko, T.N., Tatevosyan, M.M., and Vlasenko, V.G., Phys. Solid State, 2012, vol. 54, p. 2100.
Danilenko, T.N., Vlasenko, V.G., and Tatevosyan, M.M., Phys. Solid State, 2013, vol. 55, p. 2582.
Blokhin, M.A., Metody rentgenospektral’nykh issledovanii (X-Ray Spectroscopic Research Methods), Moscow: Fizmatgiz, 1959.
Frisch, M.J., Trucks, G.W., Schlegel, H.B., et al., Gaussian 03, Revision A.1, 2003.
Lee, C., Yang, W., and Parr, R.G., Phys. Rev., 1988, vol. 37, p. 785.
Becke, A.D., J. Chem. Phys., 1993, vol. 98, p. 5648.
Gajda, R. and Katrusiak, A., Cryst. Growth Des., 2008, vol. 8, p. 211.
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.
Mazalov, L.N., Rentgenovskie spektry (X-Ray Spectra), Novosibirsk: Inst. Neorg. Khim., 2003.
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.
Author information
Authors and Affiliations
Corresponding author
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
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
Published:
Issue Date:
DOI: https://doi.org/10.3103/S1062873815110064