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Proceedings Paper

FTIR spectroscopic investigations of internal rotation of nitrosubstituted 1,2-diphenylethanes
Author(s): D. I. Kamalova; A. B. Remizov; D. V. Chachkov
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Paper Abstract

Infrared absorption spectra and internal rotation of 1,2-di-(3,4-dinitrophenyl)ethane in crystalline phase, solutions in various temperatures have been investigated. The thermodynamic parameters of the conformational equilibrium have been determined. Quantum chemical ab initio energy calculations are carried out. The obtained data on the free energy, enthalpy and entropy differences of the conformations are discussed in terms of the reaction field model and compared with responsible results for 1 ,2-di(paranitrophenyl)ethane and 1,2-di(phenyl)ethane. The presence of the compensation effect (enthalpy-entropy compensation) in thermodynamics of conformational equilibria is confirmed.

Paper Details

Date Published: 9 June 2006
PDF: 8 pages
Proc. SPIE 6181, Photon Echo and Coherent Spectroscopy 2005, 61811A (9 June 2006); doi: 10.1117/12.675149
Show Author Affiliations
D. I. Kamalova, Kazan State Univ. (Russia)
A. B. Remizov, Kazan State Technological Univ. (Russia)
D. V. Chachkov, Kazan State Technological Univ. (Russia)


Published in SPIE Proceedings Vol. 6181:
Photon Echo and Coherent Spectroscopy 2005
Vitaly V. Samartsev, Editor(s)

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