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Medientyp:
E-Artikel
Titel:
Surface Plasmon Resonance Allows to Correlate Molecular Properties with Diffusion Coefficients of Linear Chain Alcohols
Beteiligte:
Basile, Giuseppe Stefano;
Calcagno, Damiano;
Pandino, Irene;
Pietropaolo, Adriana;
Schifino, Gioacchino;
Tuccitto, Nunzio;
Zingale, Gabriele Antonio;
Grasso, Giuseppe
Erschienen:
Wiley, 2024
Erschienen in:
Chemistry – A European Journal (2024)
Sprache:
Englisch
DOI:
10.1002/chem.202402346
ISSN:
1521-3765;
0947-6539
Entstehung:
Anmerkungen:
Beschreibung:
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 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 for a series of 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 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 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.