Bolle, Jennifer’s team published research in Physical Chemistry Chemical Physics in 2021 | CAS: 111-87-5

Physical Chemistry Chemical Physics published new progress about Clusters. 111-87-5 belongs to class alcohols-buliding-blocks, name is n-Octanol, and the molecular formula is C8H18O, Related Products of alcohols-buliding-blocks.

Bolle, Jennifer published the artcileIsomeric effects in structure formation and dielectric dynamics of different octanols, Related Products of alcohols-buliding-blocks, the main research area is octanol cluster aggregate hydrogen bond supramol structure.

The understanding of the microstructure of associated liquids promoted by hydrogen-bonding and constrained by steric hindrance is highly relevant in chem., physics, biol. and for many aspects of daily life. In this study we use a combination of X-ray diffraction, dielec. spectroscopy and mol. dynamics simulations to reveal temperature induced changes in the microstructure of different octanol isomers, i.e., linear 1-octanol and branched 2-, 3- and 4-octanol. In all octanols, the hydroxyl groups form the basis of chain-, cyclic- or loop-like bonded structures that are separated by outwardly directed alkyl chains. This clustering is analyzed through the scattering pre-peaks observed from X-ray scattering and simulations. The charge ordering which pilots OH aggregation can be linked to the strength of the Debye process observed in dielec. spectroscopy. Interestingly, all methods used here converge to the same interpretation: as one moves from 1-octanol to the branched octanols, the cluster structure evolves from loose large aggregates to a larger number of smaller, tighter aggregates. All alcs. exhibit a peculiar temperature dependence of both the pre-peak and Debye process, which can be understood as a change in microstructure promoted by chain association with increased chain length possibly assisted by ring-opening effects. All these results tend to support the intuitive picture of the entropic constraint provided by branching through the alkyl tails and highlight its capital entropic role in supramol. assembly.

Physical Chemistry Chemical Physics published new progress about Clusters. 111-87-5 belongs to class alcohols-buliding-blocks, name is n-Octanol, and the molecular formula is C8H18O, Related Products of alcohols-buliding-blocks.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts