- Title
- HCl adsorption on copper-modified ZSM-5: FTIR and DFT study
- Creator
- Mosallanejad, Sara; Dlugogorski, Bogdan Z.; Kennedy, Eric M.; Stockenhuber, Michael
- Relation
- ARC
- Relation
- The Journal of Physical Chemistry C Vol. 117, Issue 38, p. 19365-19372
- Publisher Link
- http://dx.doi.org/10.1021/jp3122243
- Publisher
- American Chemical Society
- Resource Type
- journal article
- Date
- 2013
- Description
- 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.
- Subject
- ion-exchanged ZSM-5; density-functional theory; nitrogen monoxide; catalytic process; NMR-spectroscopy; redox chemistry; nitric-oxide; H-mordenite; CU+ sites; zeolite
- Identifier
- http://hdl.handle.net/1959.13/1293473
- Identifier
- uon:18604
- Identifier
- ISSN:1932-7447
- Language
- eng
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