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Title:Free O-H anharmonic stetching motions in H+(CH3OH)1−3 with/without attached argon
Author(s):Chuang, Hsiao-Han
Contributor(s):Fujii, Asuka; Takahashi, Kaito; Kuo, Jer-Lai
Subject(s):Theory and Computation
Abstract:The free O-H stretching modes of H$^{+}$(CH$_{3}$OH)$_{1-3}$ clusters with/without argon have been unraveled by combining Infrared Pre-Dissociation (IR-PD) spectra and multidimensional normal mode analysis by Density Functional Theory (DFT) methods. Experimental IR-PD spectra have shown sharp peaks between 3200 and 3800 \wn, and these peaks shift when the size of cluster is varied, as well as increasing the number of argon attachment. We benchmarked several DFT and ab initio methods and the results shown that the free O-H stretching modes can well described by using a few selected normal mode coordinates with standard DFT methods.
Issue Date:2014-06-19
Publisher:International Symposium on Molecular Spectroscopy
Citation Info:Chuang, H.; Fujii, A.; Takahashi, K.; Kuo, J. FREE O-H ANHARMONIC STRETCHING MOTIONS IN H+(CH3OH)1−3 WITH/WITHOUT ATTACHED ARGON.. Proceedings of the International Symposium on Molecular Spectroscopy, Urbana, IL, June 16-21, 2014. DOI: 10.15278/isms.2014.RC09
Genre:CONFERENCE PAPER/PRESENTATION
Type:Text
Language:English
URI:http://hdl.handle.net/2142/50807
DOI:10.15278/isms.2014.RC09
Rights Information:Copyright 2014 by the authors. Licensed under a Creative Commons Attribution 4.0 International License. http://creativecommons.org/licenses/by/4.0/
Date Available in IDEALS:2014-09-17
2015-04-14


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