Aromaticity effect on supramolecular aggregation. Aromatic vs. cyclic monohydroxy alcohols

Soszka, N.; Hachuła, Barbara; Tarnacka, Magdalena; Grelska, Joanna; Jurkiewicz, Karolina; Geppert‐Rybczyńska, Monika; Wrzalik, R.; Grzybowska, K.; Pawlus, Sebastian; Paluch, Marian; Kamiński, Kamil

doi:10.1016/j.saa.2022.121235

Cited by 7 publications

(14 citation statements)

References 74 publications

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“…This agrees with the literature data, which clearly show that both α and Debye-like relaxations for various compounds exhibiting hydrogen interactions, i.e., PPG derivatives, ,, glycerol, or monohydroxy alcohols broaden under confinement regardless of the material (AAO/silica) due to an increase in the heterogeneity of the molecular mobility observed in the pores. Additionally for associating materials, the observed larger distribution of relaxation times for confined systems can be caused by a different time scale for D and α processes because of changes in the hydrogen bond population under confinement. , Note that, due to the confinement-induced broadening, the observed loss peak is no longer a Debye-like relaxation; therefore, in the case of confined samples, we would assign this mode as a dominant relaxation process. Nevertheless, surprisingly, one can see that the broadest relaxation peak can be observed for PhAs infiltrated within modul-AAO templates independent of their molecular weight; see Figure .…”

Section: Resultsmentioning

confidence: 98%

“…Additionally for associating materials, the observed larger distribution of relaxation times for confined systems can be caused by a different time scale for D and α processes because of changes in the hydrogen bond population under confinement. 4,52 Note that, due to the confinementinduced broadening, the observed loss peak is no longer a Debye-like relaxation; therefore, in the case of confined samples, we would assign this mode as a dominant relaxation process. Nevertheless, surprisingly, one can see that the broadest relaxation peak can be observed for PhAs infiltrated within modul-AAO templates independent of their molecular weight; see Figure 5.…”

Section: Resultsmentioning

confidence: 99%

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Impact of Nanostructurization of the Pore Walls on the Dynamics of a Series of Phenyl Alcohols Incorporated within Nanoporous Aluminum Oxide Templates

et al. 2022

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Herein, we studied the impact of surface roughness on the molecular dynamics of a series of phenyl-terminated monohydroxyalcohols under spatial confinement provided by nanoporous anodic aluminum oxide (AAO) membranes of constant (const-AAO) and modulated (modul-AAO) pore diameter using Broadband Dielectric Spectroscopy and Differential Scanning Calorimetry. Interestingly, we observed that both types of AAO membranes affect the behavior of examined associating materials in a different manner. Calorimetric measurements showed that the double glass transition phenomenon, commonly reported for many compounds infiltrated into const-AAO membranes, is not observed in the case of modul-AAO templates, where a single glass transition temperature was detected. Consequently, the dynamics of the dominant process was bulk-like in the whole range of studied temperatures for the samples infiltrated into the latter templates. Moreover, the Debye character of the dominant relaxation process characteristic for bulk samples was lost for the confined samples. Interestingly, the width of the dominant mode was the greatest in the alcohols infiltrated into modulated pores. It was assigned to the higher heterogeneity in the mobility introduced by the nanostructurization of the interface. The presented data emphasize the crucial impact of modulated-induced surface roughness of an applied constrained medium on the dynamics and phase transition of the liquids infiltrated into pores.

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Section: Resultsmentioning

confidence: 98%

Section: Resultsmentioning

confidence: 99%

Impact of Nanostructurization of the Pore Walls on the Dynamics of a Series of Phenyl Alcohols Incorporated within Nanoporous Aluminum Oxide Templates

et al. 2022

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“…For phenyl propanols 12–14 it was emphasized that the tendency to form molecular associates transiently 4 held together by O–H⋯O bonds is impeded by the propensity of these molecules to form O-H⋯π 15 and π–π configurations. Additionally, it has to be taken into account that PC cannot be involved in the formation of supramolecular structures so that this van der Waals glass former merely acts as a diluent in the PC:PhOH mixture.…”

Section: Discussionmentioning

confidence: 99%

Phenol, the simplest aromatic monohydroxy alcohol, displays a faint Debye-like process when mixed with a nonassociating liquid

Hoffmann,

Beerwerth,

Moch

et al. 2023

Phys. Chem. Chem. Phys.

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“…To perform the deconvolution of the OH stretching vibration band, MagicPlot Pro software (version 2.9.3, MagicPlot Systems LLC, Saint Petersburg, Russia) was used. The step-by-step process of the deconvolution procedure is described in Reference …”

Section: Methodsmentioning

confidence: 99%

“…It leads to the inhibition of the self-association phenomenon and the unification of the time scales of the α- and D processes. As a consequence of that, a single relaxation process in dielectric loss spectra is detected. − …”

Section: Introductionmentioning

confidence: 95%

Experimental and Computational Approach to Studying Supramolecular Structures in Propanol and Its Halogen Derivatives

Łucak,

Szeremeta,

Wrzalik

et al. 2023

J. Phys. Chem. B

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A series of four alcohols, n-propanol and its halogen (Cl, Br, and I) derivatives, were selected to study the effects of variation in polarity and halogen-driven interactions on the hydrogen bonding pattern and supramolecular structure by means of experimental and theoretical methods. It was demonstrated on both grounds that the average strength of Hbonds remains the same but dissociation enthalpy, the size of molecular nanoassemblies, as well as long-range correlations between dipoles vary with the molecular weight of halogen atom. Further molecular dynamics simulations indicated that it is connected to the variation in the molecular order introduced by specific halogen-based hydrogen bonds and halogen−halogen interactions. Our results also provided important experimental evidence supporting the assumption of the transient chain model on the molecular origin of the structural process in self-assembling alcohols.

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Aromaticity effect on supramolecular aggregation. Aromatic vs. cyclic monohydroxy alcohols

Cited by 7 publications

References 74 publications

Impact of Nanostructurization of the Pore Walls on the Dynamics of a Series of Phenyl Alcohols Incorporated within Nanoporous Aluminum Oxide Templates

Impact of Nanostructurization of the Pore Walls on the Dynamics of a Series of Phenyl Alcohols Incorporated within Nanoporous Aluminum Oxide Templates

Phenol, the simplest aromatic monohydroxy alcohol, displays a faint Debye-like process when mixed with a nonassociating liquid

Experimental and Computational Approach to Studying Supramolecular Structures in Propanol and Its Halogen Derivatives

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