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9 June 2006 FTIR spectroscopic investigations of internal rotation of nitrosubstituted 1,2-diphenylethanes
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Proceedings Volume 6181, Photon Echo and Coherent Spectroscopy 2005; 61811A (2006) https://doi.org/10.1117/12.675149
Event: Photon Echo and Coherent Spectroscopy 2005, 2005, Kaliningrad, Russian Federation
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.
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D. I. Kamalova, A. B. Remizov, and D. V. Chachkov "FTIR spectroscopic investigations of internal rotation of nitrosubstituted 1,2-diphenylethanes", Proc. SPIE 6181, Photon Echo and Coherent Spectroscopy 2005, 61811A (9 June 2006); https://doi.org/10.1117/12.675149
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