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

Academic Article
Publication Date:
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.
Iris type:
01.01 Articolo in rivista
Keywords:
liquid ethanol; crystalline ethanol; inelastic x-ray scattering; Bayesian inference; Exponential Expansion Theory; hydrogen bond
List of contributors:
Bafile, Ubaldo; Formisano, Ferdinando; DE FRANCESCO, Alessio
Authors of the University:
DE FRANCESCO ALESSIO
FORMISANO FERDINANDO
Handle:
https://iris.cnr.it/handle/20.500.14243/450978
Published in:
THE JOURNAL OF CHEMICAL PHYSICS
Journal
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