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Proceedings Paper

Near surface layer structure models and IR spectra of the heterogenic bicomponent nano-systems on the base of titanium dioxide
Author(s): Lev M. Babkov; Tamara V. Bezrodnaya; Galina A. Puchkovskaya; Valentina V. Shimanovskaya; Kirill E. Uspenskiy
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Paper Abstract

Investigation of benzophenone (BP)-TiO2 and 4-amyl-4'-cyanobiphenyl (5CB)-TiO2 bicomponent mixtures by vibrational spectroscopy and quantum mechanical methods was carried out. IR spectra of BP-TiO2 and 5C-BTiO2 were measured in 400-3800 cm-1 region. The structure, energy, electrooptical parameters, frequencies and IR intencities for the models of H-bond complexes which are seem to be formed in near surface layer of the TiO2 nanoparticles, embedded into BP and 5CB samples. Calculations were performed using B3LYP/6-31+G(d) method.

Paper Details

Date Published: 13 June 2007
PDF: 5 pages
Proc. SPIE 6537, Saratov Fall Meeting 2006: Laser Physics and Photonics, Spectroscopy and Molecular Modeling VII, 65370P (13 June 2007); doi: 10.1117/12.754460
Show Author Affiliations
Lev M. Babkov, Saratov State Univ. (Russia)
Tamara V. Bezrodnaya, Institute of Physics (Ukraine)
Galina A. Puchkovskaya, Institute of Physics (Ukraine)
Valentina V. Shimanovskaya, Institute of Physics (Ukraine)
Kirill E. Uspenskiy, Saratov State Univ. (Russia)


Published in SPIE Proceedings Vol. 6537:
Saratov Fall Meeting 2006: Laser Physics and Photonics, Spectroscopy and Molecular Modeling VII

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