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Компенсационный и кооперативный эффекты в термодинамике водородных связей гидропероксидов

Компенсационный и кооперативный эффекты в термодинамике водородных связей гидропероксидов

Abstract

С использованием факторного анализа исследованы ИК спектры (3200 3600 см-1, 20 850С) бинарных растворов в н-декане, состоящих из двух компонентов: гидропероксид кумила (ГПК) и протоноакцептор (ацетон или ацетофенон). Определены термодинамические параметры образования самои гетероассоциатов ГПК. Рассмотрены ранее полученные результаты квантово-химических расчетов линейных и циклических самоассоциатов ГПК, а также результаты ИК спектроскопических исследований термодинамики водородных связей гидропероксидов кумила, третичного бутила (ГПТБ) и трифенилметила (ГПТФМ). Обнаружены компенсационный и кооперативный эффекты в термодинамике водородных связей гидропероксидов.

IR-spectra (3200 3600 cm-1, 20 850C) of binary solutions in n-decane: cumyl hydroperoxide (CUH) and proton acceptor (acetone or acetophenone) were investigated with use of factor analysis. Thermodynamic parameters of the selfand heteroassociate formation were determined. Earlier results of DFT calculations of linear and cyclic CUH self-associates and results of IR spectroscopic studies of Hbond thermodynamics of CUH, tert-butyl (TBH) and 3-Phenyl Methyl (PMH) hydroperoxides are considered. Compensation and cooperative effects in H-bond hydroperoxide thermodynamics are found.

Keywords

ИК-СПЕКТРЫ, ГИДРОПЕРОКCИД, ВОДОРОДНАЯ СВЯЗЬ, КОМПЕНСАЦИОННЫЙ ЭФФЕКТ, КООПЕРАТИВНЫЙ ЭФФЕКТ

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
0
Average
Average
Average
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