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Dynamic Signature of Molecular Association in Methanol

Published

Author(s)

Christopher E. Bertrand, Jeffrey L. Self, John R. Copley, Antonio Faraone

Abstract

Quasielastic neutron scattering measurements and molecular dynamics simulations were combined to investigate the collective dynamics of deuterated methanol. A slow, non-Fickian mode was observed in addition to the standard heat mode. The qualitative behavior of this mode is similar to the previously observed α-relaxation in supercooled water [M.C. Bellissent-Funel et al,. Phys. Rev. Lett. 85, 3644 (2000)] and also originates from the formation and dissolution of hydrogen-bonded associates (supermolecular clusters). In methanol, however, this mode is distinguishable well above the freezing transition. This finding raises the possibility that an emergent slow mode is not unique to supercooled water, but may instead be a general feature of hydrogen-bonding liquids.
Citation
Journal of Chemical Physics
Volume
145
Issue
1

Keywords

Associates, H-bond, QENS, MD

Citation

Bertrand, C. , Self, J. , Copley, J. and Faraone, A. (2016), Dynamic Signature of Molecular Association in Methanol, Journal of Chemical Physics, [online], https://tsapps.nist.gov/publication/get_pdf.cfm?pub_id=919680 (Accessed April 21, 2024)
Created July 6, 2016, Updated October 12, 2021