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

Articolo
Data di Pubblicazione:
2023
Abstract:
We used Inelastic X-Ray Scattering methods to measure the terahertz spectrum of density fluctuations of ethanol in
both liquid and solid phases. The results of a Bayesian inference-based lineshape analysis with a multiple excitation
model and the comparison with a previous similar analysis on water indicate that the different structures induced by
hydrogen bonds in ethanol and water have a profound influence on the respective dynamic responses, the latter being
characterized by longer living and better resolved high-frequency acoustic excitations. Also, we compare these findings
with those obtained with an alternative approach based on the Exponential Expansion Theory and ensuring sum rule
fulfillment, demonstrating that the model's choice directly impacts the number of spectral modes detected.
Tipologia CRIS:
01.01 Articolo in rivista
Keywords:
liquid ethanol; crystalline ethanol; inelastic x-ray scattering; Bayesian inference; Exponential Expansion Theory; hydrogen bond
Elenco autori:
Bafile, Ubaldo; Formisano, Ferdinando; DE FRANCESCO, Alessio
Autori di Ateneo:
DE FRANCESCO ALESSIO
FORMISANO FERDINANDO
Link alla scheda completa:
https://iris.cnr.it/handle/20.500.14243/450978
Pubblicato in:
THE JOURNAL OF CHEMICAL PHYSICS
Journal
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