Title: HCl Adsorption on Copper-Modified ZSM-5: FTIR and DFT Study
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.
Publication Year: 2013
Publication Date: 2013-09-12
Language: en
Type: article
Indexed In: ['crossref']
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Cited By Count: 14
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