Journal article
HCl adsorption on copper-modified ZSM-5: FTIR and DFT study
The Journal of Physical Chemistry C, Vol.117(38), pp.19365-19372
2013
Abstract
The adsorption complex of hydrogen chloride on copper-modified ZSM-5 was studied by FTIR and theoretical calculations. The results indicate that the Cl atom of hydrogen chloride is bound to the Cu cations when adsorbed at low pressures (<1 μbar). At higher pressures, HCl adsorbs on the zeolite Brønsted acid sites as well as is hydrogen bonded to the Cu in a larger cluster. Using in situ infrared spectroscopy, we observed a sharp decrease in stretching vibrational frequency of HCl of about 700 cm-1 compared with the H-Cl stretching vibration of gaseous hydrochloric acid. The findings were supported by density functional theory cluster quantum chemical calculations.
Details
- Title
- HCl adsorption on copper-modified ZSM-5: FTIR and DFT study
- Authors/Creators
- S. Mosallanejad (Author/Creator)B.Z. Dlugogorski (Author/Creator)E.M. Kennedy (Author/Creator)M. Stockenhuber (Author/Creator)
- Publication Details
- The Journal of Physical Chemistry C, Vol.117(38), pp.19365-19372
- Publisher
- American Chemical Society
- Identifiers
- 991005541415207891
- Copyright
- © 2013 American Chemical Society.
- Murdoch Affiliation
- Murdoch University
- Language
- English
- Resource Type
- Journal article
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- Citation topics
- 2 Chemistry
- 2.41 Catalysts
- 2.41.366 Selective Catalytic Reduction
- Web Of Science research areas
- Chemistry, Physical
- Materials Science, Multidisciplinary
- Nanoscience & Nanotechnology
- ESI research areas
- Chemistry