Temperature dependence of structural quantum effects in liquid methanol

B. Tomberli, C. J. Benmore, P. A. Egelstaff, J. Neuefeind, V. Honkimäki

Research output: Contribution to journalArticlepeer-review

11 Scopus citations

Abstract

High-energy electromagnetic radiation scattering techniques have been used to measure the structural differences between liquids composed of four different isotopes of methanol (CH3OH, CD3OD, CH3OD and CD3OH) at temperatures of 24.5 °C and -80 °C. We measured the magnitude of the isotopic effect, which increases with decreasing temperature and comprises of both intramolecular and intermolecular effects. Intramolecularly, the C-O, O H. and to a lesser extent the C-H bond lengths, shorten upon deuteration. Intermolecularly, the winding hydrogen bonded chain structure is affected significantly. The results show that hydrogenated simple alcohols are more disordered liquids than deuterated alcohols at the same temperature. Substitution at the methyl site is compared to substitution at the hydroxyl site and the effect is shown to increase more rapidly as temperature is decreased.

Original languageEnglish
Pages (from-to)341-347
Number of pages7
JournalEPL
Volume55
Issue number3
DOIs
StatePublished - Aug 1 2001
Externally publishedYes

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