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The Microscopic Structure of Liquid Methanol from Raman Spectroscopy
KTH, School of Biotechnology (BIO), Theoretical Chemistry.ORCID iD: 0000-0003-0007-0394
2010 (English)In: Journal of Physical Chemistry B, ISSN 1520-6106, E-ISSN 1520-5207, Vol. 114, no 10, 3567-3573 p.Article in journal (Refereed) Published
Abstract [en]

The microscopic Structure of liquid methanol has been systematically investigated with Raman spectroscopy in a temperature range of 15-55 degrees C. The unbonded free -OH stretching vibrational hand has been observed at similar to 3660 cm(-1) in pure liquid. With the aid of depolarization measurements and theoretical calculations, four featured spectral components have been unambiguously identified and assigned to four well-defined vibrational modes of Clusters in chain or ring forms. Furthermore, the Cluster size distribution and its temperature dependence have been derived from the spectral fittings for the first time, which lead to the conclusion that the trimer, tetramer, and pentamer are the dominant Clusters ill liquid methanol, taking Up more than 50% of total Clusters.

Place, publisher, year, edition, pages
2010. Vol. 114, no 10, 3567-3573 p.
Keyword [en]
hydrogen-bond dynamics, isosbestic points, temperature-dependence, molecular clusters, room-temperature, mixture model, monte-carlo, water, alcohols, spectra
National Category
Physical Chemistry
URN: urn:nbn:se:kth:diva-19293DOI: 10.1021/jp9121968ISI: 000275328400021ScopusID: 2-s2.0-77949583710OAI: diva2:337340
Swedish Research Council
QC 20110114Available from: 2010-08-05 Created: 2010-08-05 Last updated: 2011-01-14Bibliographically approved

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