Raman Spectroscopy Of Fullerene-Like Molecules Of Silicon Dioxide (SiO2)N(H2O)N/2
DOI:
https://doi.org/10.15330/pcss.17.3.401-406Keywords:
density functional method, Raman spectroscopy, fullerene-like silicon dioxide moleculesAbstract
The Raman spectra of monosilicic, disilicic acid molecules, tetra- and pentasilicic acid molecules with cyclic structure, cage-like okta- and dekasilicic asid molecules, and of fullerene-like molecule (SiO2)N(H2O)N/2 have been calculated using density functional theory method (exchange-correlation functional B3LYP and basis set 6-31G (d, p)) and assignment of frequencies in conformity with the shape fluctuations have been executed.
References
[1] A.V. Eleckij, B.M. Smirnov, UFN 165(9), 977 (1995).
[2] Ju.E. Lozovik, A.M. Popov, UFN 167(7), 751 (1997).
[3] A.V. Eleckij, UFN 177(3), 233 (2007).
[4] N.A. Shabanova, P.D. Sarkisov, Osnovy zol'-gel' tehnologii nanodispersnogo kremnezema (Akademkniga, Moskva, 2004).
[5] V.I.Kornev, V.V. Danilov, Zhidkoe i rastvorimoe steklo (Strojizdat, Sankt-Peterburg, 1996).
[6] T.T. Trinh, A.P. Jansen, R.A. Santen, Chem. Phys. Chem. 10(11), 1775 (2009).
[7] W.-D. Cheng, K.-H. Xiang, R. Pandey, J. Phys. Chem. B. 104(29), 6737 (2000).
[8] T.G. Knight, R.G. Balec, S.D.Kinrade, Angew. Chem. Int. Ed. 46, 8148 (2007).
[9] O.V. Polіshhuk, V.V. Lobanov, Nanosistemi, nanomaterіali, nanotehnologії 6(2), 417 (2008).
[10] O.V. Fіlonenko, V.V. Lobanov, Fіzika і hіmіja tverdogo tіla 12(1), 122 (2011).
[11] M.W. Schmidt, K.K. Baldridge, J.A. Boatz et al., J. Comput. Chem. 14(11), 1347 (1993).
[12] A.P. Scott, L. Radom, J. Phys. Chem. 100(41), 16502 (1996).
[13] O.V. Fіlonenko, V.V. Lobanov, Hіmіja, fіzika ta tehnologіja poverhnі 4(3), 260 (2013).
[14] O.V. Filonenko, V.V. Lobanov, Zhurnal fizicheskoj himii 85(5), 929 (2011).
[15] A.N. Lazarev, A.P. Mirgorodskij, I.S. Ignat'ev, Kolebatel'nye spektry slozhnyh okislov. Silikaty i ih analogi (Nauka, Leningrad, 1975).
[16] A.S. Brykov, Silikatnye rastvory i ih primenenie. Uchebnoe posobie (SPbGTI (TU), Sank-Peterburg, 2009).
[17] N. Zotov, H. Keppler, Am. Mineral. 85, 600 (2000).
[18] J.D. Hunt, A. Kavner, E.A. Schauble et al., Chem. Geol. 283, 161 (2011).
[19] M. Sitarz, W. Mozgawa, M. Handke, J. Molec. Struc. 511, 281 (1991).
[20] A. Pasquarello, R. Car, Phys. Rev. Lett. 80(23), 5145 (1998).
[21] Y. Liang, C.R. Miranda, S. Scandolo, J. Chem. Phys. 125, 194524 (2006)
[2] Ju.E. Lozovik, A.M. Popov, UFN 167(7), 751 (1997).
[3] A.V. Eleckij, UFN 177(3), 233 (2007).
[4] N.A. Shabanova, P.D. Sarkisov, Osnovy zol'-gel' tehnologii nanodispersnogo kremnezema (Akademkniga, Moskva, 2004).
[5] V.I.Kornev, V.V. Danilov, Zhidkoe i rastvorimoe steklo (Strojizdat, Sankt-Peterburg, 1996).
[6] T.T. Trinh, A.P. Jansen, R.A. Santen, Chem. Phys. Chem. 10(11), 1775 (2009).
[7] W.-D. Cheng, K.-H. Xiang, R. Pandey, J. Phys. Chem. B. 104(29), 6737 (2000).
[8] T.G. Knight, R.G. Balec, S.D.Kinrade, Angew. Chem. Int. Ed. 46, 8148 (2007).
[9] O.V. Polіshhuk, V.V. Lobanov, Nanosistemi, nanomaterіali, nanotehnologії 6(2), 417 (2008).
[10] O.V. Fіlonenko, V.V. Lobanov, Fіzika і hіmіja tverdogo tіla 12(1), 122 (2011).
[11] M.W. Schmidt, K.K. Baldridge, J.A. Boatz et al., J. Comput. Chem. 14(11), 1347 (1993).
[12] A.P. Scott, L. Radom, J. Phys. Chem. 100(41), 16502 (1996).
[13] O.V. Fіlonenko, V.V. Lobanov, Hіmіja, fіzika ta tehnologіja poverhnі 4(3), 260 (2013).
[14] O.V. Filonenko, V.V. Lobanov, Zhurnal fizicheskoj himii 85(5), 929 (2011).
[15] A.N. Lazarev, A.P. Mirgorodskij, I.S. Ignat'ev, Kolebatel'nye spektry slozhnyh okislov. Silikaty i ih analogi (Nauka, Leningrad, 1975).
[16] A.S. Brykov, Silikatnye rastvory i ih primenenie. Uchebnoe posobie (SPbGTI (TU), Sank-Peterburg, 2009).
[17] N. Zotov, H. Keppler, Am. Mineral. 85, 600 (2000).
[18] J.D. Hunt, A. Kavner, E.A. Schauble et al., Chem. Geol. 283, 161 (2011).
[19] M. Sitarz, W. Mozgawa, M. Handke, J. Molec. Struc. 511, 281 (1991).
[20] A. Pasquarello, R. Car, Phys. Rev. Lett. 80(23), 5145 (1998).
[21] Y. Liang, C.R. Miranda, S. Scandolo, J. Chem. Phys. 125, 194524 (2006)
