Internal rotation in 1,2-di-(p-XC6H4)ethanes (X = H, Br, NO2): Infrared spectra and compensation effect

dc.contributor.author	Kamalova D.
dc.contributor.author	Petrova S.
dc.contributor.author	Remizov A.
dc.date.accessioned	2018-09-17T21:32:16Z
dc.date.available	2018-09-17T21:32:16Z
dc.date.issued	2003
dc.identifier.issn	1386-1425
dc.identifier.uri	https://dspace.kpfu.ru/xmlui/handle/net/135121
dc.description.abstract	Infrared absorption spectra and internal rotation of 1,2-di-(p-XC 6H4)ethanes (X=H, Br, NO2) in crystalline phase, liquid and solutions at various temperatures have been investigated. Band fitting was applied to conformationally sensitive regions of the spectra, and assignment of the peaks to trans and gauche conformations was performed. Enthalpy and entropy differences of the conformers (ΔH0 and ΔS0) were found to be solvent-dependent, and it is interpreted in terms of previously discovered compensation effect. The values ΔH 0 and ΔS0 for 1,2-di-(p-NO2C 6H4)ethane obtained are unusually large. © 2003 Elsevier B.V. All rights reserved.
dc.relation.ispartofseries	Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy
dc.subject	Compensation effect
dc.subject	Conformational equilibrium
dc.subject	Infrared spectra
dc.subject	Molecular dynamics
dc.title	Internal rotation in 1,2-di-(p-XC6H4)ethanes (X = H, Br, NO2): Infrared spectra and compensation effect
dc.type	Article
dc.relation.ispartofseries-issue	13
dc.relation.ispartofseries-volume	59
dc.collection	Публикации сотрудников КФУ
dc.relation.startpage	3053
dc.source.id	SCOPUS13861425-2003-59-13-SID0142061163

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