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

Chuang, Hsiao-Han

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

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

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

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/

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