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Title: Infrared Spectroscopy of NaCl(CH3OH)n Complexes in Helium Nanodroplets.
Authors: Sadoon, Ahmed M.
Sarma, Gautam
Cunningham, Ethan M.
Tandy, Jon
Hanson-Heine, M. W.
Besley, N. A.
Yang, Shengfu
Ellis, Andrew M.
First Published: 29-Sep-2016
Publisher: American Chemical Society
Citation: Journal of Physical Chemistry A. 2016, 120 (41), pp 8085–8092
Abstract: Infrared (IR) spectra of complexes between NaCl and methanol have been recorded for the first time. These complexes were formed in liquid helium nanodroplets by consecutive pick-up of NaCl and CH3OH molecules. For the smallest NaCl(CH3OH)n, complexes where n = 1-3, the IR data suggest that the lowest-energy isomer is the primary product in each case. The predominant contribution to the binding comes from ionic hydrogen bonds between the OH in each methanol molecule and the chloride ion in the NaCl, as established by the large red shift of the OH stretching bands compared with the isolated CH3OH molecule. For n ≥ 4, there is a dramatic shift from discrete vibrational bands to very broad absorption envelopes, suggesting a profound change in the structural landscape and, in particular, access to multiple low-energy isomers.
DOI Link: 10.1021/acs.jpca.6b06227
ISSN: 1089-5639
eISSN: 1520-5215
Version: Post-print
Status: Peer-reviewed
Type: Journal Article
Rights: Creative Commons “Attribution Non-Commercial No Derivatives” licence CC BY-NC-ND, further details of which can be found via the following link: Archived with reference to SHERPA/RoMEO and publisher website.
Description: The Supporting Information is available free of charge on the ACS Publications website at DOI: 10.1021/acs.jpca.6b06227. Calculated vibrational frequencies and IR absorption line strengths and the IR spectrum recorded in the m/z 23 mass channel (PDF)
Appears in Collections:Published Articles, Dept. of Chemistry

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