HCl adsorption on copper-modified ZSM-5: FTIR and DFT study

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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