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Proceedings Paper

IR spectra, molecular modeling, and structure of 4'-pentyl-4-cyanobiphenyl
Author(s): Lev M. Babkov; I. I. Gnatyuk; G. A. Puchkovskaya; S. V. Trukhachev
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Paper Abstract

Conformational mobility and structure of 4' - pentyl - 4 - cyanobiphenyl in liquid and liquid-crystal states have been investigated by IR spectroscopy methods (both experimental and theory). IR absorption spectra have been measured in the 26° - 150°C temperature range, in the 400 - 4000 cm-1 spectral region. Theoretical modeling of IR spectra has been done by the method of fragments. Comparison between theoretical and experimental spectra allowed to draw a conclusion that samples under investigation were mixtures of different conformers. Spectral changes with temperature have been defined by the molecule conformational mobility which is small under the certain conditions. The most probable molecule configurations, realized in the sample in the mentioned temperature interval have been determined.

Paper Details

Date Published: 23 September 2003
PDF: 9 pages
Proc. SPIE 5067, Saratov Fall Meeting 2002: Laser Physics and Photonics, Spectroscopy, and Molecular Modeling III; Coherent Optics of Ordered and Random Media III, (23 September 2003); doi: 10.1117/12.518616
Show Author Affiliations
Lev M. Babkov, Saratov State Univ. (Russia)
I. I. Gnatyuk, Institute of Physics (Ukraine)
G. A. Puchkovskaya, Institute of Physics (Ukraine)
S. V. Trukhachev, Saratov State Univ. (Russia)


Published in SPIE Proceedings Vol. 5067:
Saratov Fall Meeting 2002: Laser Physics and Photonics, Spectroscopy, and Molecular Modeling III; Coherent Optics of Ordered and Random Media III
Dmitry A. Zimnyakov; Vladimir L. Derbov; Leonid A. Melnikov; Lev M. Babkov, Editor(s)

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