Share Email Print
cover

Proceedings Paper

Structural-dynamic models and vibrational spectra of nitrobenzene and nitropyridines
Author(s): P. M. Elkin; L. M. Babkov; T. V. Bezrodnaya; G. A. Puchkovskaya; M. D. Elkin
Format Member Price Non-Member Price
PDF $14.40 $18.00
cover GOOD NEWS! Your organization subscribes to the SPIE Digital Library. You may be able to download this paper for free. Check Access

Paper Abstract

The analysis of nitrobenzene and nitropyridines vibrational spectra has been performed for free molecule and in water, ethanol and benzene solution using DFT/B3LYP method with 6-31G*(**) basis set. Solvent influence on the nitrobenzene characteristical spectral parameters behavior was found. Assignment for vibrations of nitropyridines is given.

Paper Details

Date Published: 9 June 2005
PDF: 9 pages
Proc. SPIE 5773, Saratov Fall Meeting 2004: Laser Physics and Photonics, Spectroscopy, and Molecular Modeling V, (9 June 2005); doi: 10.1117/12.636984
Show Author Affiliations
P. M. Elkin, Saratov State Univ. (Russia)
L. M. Babkov, Saratov State Univ. (Russia)
T. V. Bezrodnaya, Institute of Physics, NAS of Ukraine (Ukraine)
G. A. Puchkovskaya, Institute of Physics, NAS of Ukraine (Ukraine)
M. D. Elkin, Saratov State Univ. (Russia)


Published in SPIE Proceedings Vol. 5773:
Saratov Fall Meeting 2004: Laser Physics and Photonics, Spectroscopy, and Molecular Modeling V
Vladimir L. Derbov; Leonid A. Melnikov; Lev M. Babkov, Editor(s)

© SPIE. Terms of Use
Back to Top