Surface Plasmon Resonance Allows to Correlate Molecular Properties With Diffusion Coefficients of Linear Chain Alcohols.

Autor: Basile GS; Scuola Superiore di Catania, Via Valdisavoia 9, Catania, 95123, Italy.; Department of Chemical Sciences, University of Catania, Viale Andrea Doria 6, Catania, Italy., Calcagno D; IRCCS - Fondazione Bietti, Rome, Italy., Pandino I; IRCCS - Fondazione Bietti, Rome, Italy., Pietropaolo A; Dipartimento di Scienze della Salute, Università Magna Graecia di Catanzaro, Viale Europa, Catanzaro, 88100, Italy., Schifino G; Dipartimento di Scienze della Salute, Università Magna Graecia di Catanzaro, Viale Europa, Catanzaro, 88100, Italy., Tuccitto N; Department of Chemical Sciences, University of Catania, Viale Andrea Doria 6, Catania, Italy., Zingale GA; IRCCS - Fondazione Bietti, Rome, Italy., Grasso G; Department of Chemical Sciences, University of Catania, Viale Andrea Doria 6, Catania, Italy.
Jazyk: angličtina
Zdroj: Chemistry (Weinheim an der Bergstrasse, Germany) [Chemistry] 2024 Oct 08; Vol. 30 (56), pp. e202402346. Date of Electronic Publication: 2024 Sep 19.
DOI: 10.1002/chem.202402346
Abstrakt: Every biological and physicochemical process occurring in a fluid phase depends on the diffusion coefficient (D) of the species in solution. In the present work, a model to describe and fit the behaviour of D ${D}$ as a function of structure and extensive thermodynamics parameters in binary solutions of linear chain organic molecules is developed. Supporting experimental and computational evidences for this model are obtained by measuring D ${D}$ for a series of n ${n}$ -alcohols through a novel surface plasmon resonance method and molecular dynamics simulations. This allows to propose a kind of combined analysis to explain the dependence of D ${D}$ on various thermodynamic and structural parameters. The results suggest that for small linear systems in the range from 0 to 200 g mol -1 and under the assumption that the diffusive activation energy is a linear function of mass, D ${D}$ is strictly dependent on the molecular shape and on the relative strength of the solute-solvent intermolecular forces represented by a parameter named R. The newly proposed approach can be utilized to characterize and monitor progressive changes in physicochemical properties for any investigated species upon increasing the dimension of the aggregate/molecule along a certain direction.
(© 2024 The Author(s). Chemistry - A European Journal published by Wiley-VCH GmbH.)
Databáze: MEDLINE
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