University of Illinois Urbana-Champaign

Free O-H anharmonic stetching motions in H+(CH3OH)1−3 with/without attached argon

Chuang, Hsiao-Han

Content Files
RC09_Abstract.pdf
RC09_Abstract.txt
RC09_Presentation.pptx

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https://hdl.handle.net/2142/50807

Description

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
Issue Date
2014-06-19
Keyword(s)
Theory and Computation
Date of Ingest
  • 2014-09-17T16:54:59Z
  • 2015-04-14T18:40:51Z
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.
Publisher
International Symposium on Molecular Spectroscopy
Type of Resource
text
Genre of Resource
Conference Paper / Presentation
Language
English
Permalink
http://hdl.handle.net/2142/50807
DOI
https://doi.org/10.15278/isms.2014.RC09
Copyright and License Information
Copyright 2014 by the authors. Licensed under a Creative Commons Attribution 4.0 International License. http://creativecommons.org/licenses/by/4.0/

Owning Collections

Abstracts & Presentations - 2014 International Symposium on Molecular Spectroscopy PRIMARY