Soszka, N.; Hachula, B.; Tarnacka, M.; Kaminska, E.; Pawlus, S.; Kaminski, K.; Paluch, M. published the artcile< Is a Dissociation Process Underlying the Molecular Origin of the Debye Process in Monohydroxy Alcohols?>, SDS of cas: 104-76-7, the main research area is glass former monohydroxy alc Debye relaxation hydrogen bond dissociation; activation barrier broad band dielec spectroscopy FTIR.
Herein, we investigated the mol. dynamics as well as intramol. interactions in two primary monohydroxy alcs. (MA), 2-ethyl-1-hexanol (2EHOH) and n-butanol (nBOH), by means of broad-band dielec. (BDS) and Fourier transform IR (FTIR) spectroscopy. The modeling data obtained from dielec. studies within the Rubinstein approach [Macromols. 2013, 46, 7525-7541] originally developed to describe the dynamical properties of self-assembling macromols. allowed us to calculate the energy barrier (Ea) of dissociation from the temperature dependences of relaxation times of Debye and structural processes. We found Ea ~19.4 ± 0.8 and 5.3 ± 0.4 kJ/mol for the former and latter systems, resp. On the other hand, FTIR data analyzed within the van’t Hoff relationship yielded the energy barriers for dissociation Ea ~20.3 ± 2.1 and 12.4 ± 1.6 kJ/mol for 2EHOH and nBOH, resp. Hence, there was almost a perfect agreement between the values of Ea estimated from dielec. and FTIR studies for the 2EHOH, while some notable discrepancy was noted for the second alc. A quite significant difference in the activation barrier of dissociation indicates that there are probably supramol. clusters of varying geometry or a ring-chain-like equilibrium is strongly affected in both alcs. Nevertheless, our anal. showed that the association/dissociation processes undergoing within nanoassocs. are one of the main factors underlying the mol. origin of the Debye process, supporting the transient chain model.
Journal of Physical Chemistry B published new progress about Activation energy. 104-76-7 belongs to class alcohols-buliding-blocks, and the molecular formula is C8H18O, SDS of cas: 104-76-7.
Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts