The hydrogen-bond collective dynamics in liquid methanol

Bellissima, Stefano; Cunsolo, Alessandro; DePanfilis, Simone; Bafile, Ubaldo; Gonzalez, Miguel Angel; Guarini, Eleonora; Formisano, Ferdinando

doi:10.1038/srep39533

Title: The hydrogen-bond collective dynamics in liquid methanol

Journal Article · Tue Dec 20 00:00:00 EST 2016 · Scientific Reports

DOI:https://doi.org/10.1038/srep39533· OSTI ID:1341641

Bellissima, Stefano ^[1]; Cunsolo, Alessandro ^[2]; DePanfilis, Simone ^[3]; Bafile, Ubaldo ^[4]; Gonzalez, Miguel Angel ^[5]; Guarini, Eleonora ^[1]; Formisano, Ferdinando ^[4]

Univ. of Firenze (Italy)
Brookhaven National Lab. (BNL), Upton, NY (United States)
Inst. Italiano di Tecnologia, Rome (Italy)
Consiglio Nazionale delle Ricerche (Italy)
Inst. Laue-Langevin (ILL), Grenoble (France)

The relatively simple molecular structure of hydrogen-bonded (HB) systems is often belied by their exceptionally complex thermodynamic and microscopic behaviour. For this reason, after a thorough experimental, computational and theoretical scrutiny, the dynamics of molecules in HB systems still eludes a comprehensive understanding. Aiming at shedding some insight into this topic, we jointly used neutron Brillouin scattering and molecular dynamics simulations to probe the dynamics of a prototypical hydrogen-bonded alcohol, liquid methanol. The comparison with the most thoroughly investigated HB system, liquid water, pinpoints common behaviours of their THz microscopic dynamics, thereby providing additional information on the role of HB dynamics in these two systems. This study demonstrates that the dynamic behaviour of methanol is much richer than what so far known, and prompts us to establish striking analogies with the features of liquid and supercooled water. In particular, based on the strong differences between the structural properties of the two systems, our results suggest that the assignment of some dynamical properties to the tetrahedral character of water structure should be questioned. We finally highlight the similarities between the characteristic decay times of the time correlation function, as obtained from our data and the mean lifetime of hydrogen bond known in literature.

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Research Organization:: Brookhaven National Laboratory (BNL), Upton, NY (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: SC00112704

OSTI ID:: 1341641

Report Number(s):: BNL-113359-2016-JA

Journal Information:: Scientific Reports, Vol. 6; ISSN 2045-2322

Publisher:: Nature Publishing GroupCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 16 works

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