We used Inelastic X-Ray Scattering methods to measure the terahertz spectrum of density fluctuations of ethanol inboth liquid and solid phases. The results of a Bayesian inference-based lineshape analysis with a multiple excitationmodel and the comparison with a previous similar analysis on water indicate that the different structures induced byhydrogen bonds in ethanol and water have a profound influence on the respective dynamic responses, the latter beingcharacterized by longer living and better resolved high-frequency acoustic excitations. Also, we compare these findingswith those obtained with an alternative approach based on the Exponential Expansion Theory and ensuring sum rulefulfillment, demonstrating that the model's choice directly impacts the number of spectral modes detected.

Fingerprints of hydrogen bonding in the terahertz dynamics of ethanol and water: an Inelastic X-Ray Scattering study

A De Francesco
Primo
;
F Formisano;U Bafile;
2023

Abstract

We used Inelastic X-Ray Scattering methods to measure the terahertz spectrum of density fluctuations of ethanol inboth liquid and solid phases. The results of a Bayesian inference-based lineshape analysis with a multiple excitationmodel and the comparison with a previous similar analysis on water indicate that the different structures induced byhydrogen bonds in ethanol and water have a profound influence on the respective dynamic responses, the latter beingcharacterized by longer living and better resolved high-frequency acoustic excitations. Also, we compare these findingswith those obtained with an alternative approach based on the Exponential Expansion Theory and ensuring sum rulefulfillment, demonstrating that the model's choice directly impacts the number of spectral modes detected.
2023
Istituto di Fisica Applicata - IFAC
Istituto Officina dei Materiali - IOM -
liquid ethanol
crystalline ethanol
inelastic x-ray scattering
Bayesian inference
Exponential Expansion Theory
hydrogen bond
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Descrizione: This article may be downloaded for personal use only. Any other use requires prior permission of the author and AIP Publishing. This article appeared in A. De Francesco, F. Formisano, L. Scaccia, E. Guarini, U. Bafile, M. A. González, A. Alatas, S. T. Lynch, A. Cunsolo; Fingerprints of hydrogen bonding in the terahertz dynamics of ethanol and water: An inelastic x-ray scattering study. J. Chem. Phys. 28 December 2023; 159 (24): 244501 and may be found at https://doi.org/10.1063/5.0180961.
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/20.500.14243/450978
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