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Title: Infrared Spectroscopic Study of ClCN Adsorption on Clean and Triethylenediamine-Precovered y-Al2O3

Journal Article · · Journal of Physical Chemistry. C
DOI:https://doi.org/10.1021/jp075409q· OSTI ID:923663

The effect of triethylenediamine (TEDA) (also named 1,4-diazabicyclo [2.2.2]octane, DABCO) on the adsorption of ClCN on a y-Al2O3 absorbent has been investigated. Both Fourier transform infrared (FTIR) and theoretical studies indicate that no direct interaction between amine groups of TEDA and ClCN molecules takes place. Instead, we found that TEDA competes with ClCN for active surface sites on y-Al2O3. In addition, the adsorption behavior of cyanogen chloride (ClCN) on a clean y-Al2O3 surface has been studied. The sequence of the thermally activated processes of diffusion, adsorption, desorption, and decomposition of ClCN molecules on the clean y-Al2O3 surface following icelike ClCN layer formation at lower temperature was observed. One of the decomposition products, Al-NCO, was assigned by using an Al-18OH labeled surface for reaction with ClCN. In addition, Al-CN and Al2-OCN species were also detected upon ClCN decomposition. Good correlation of the calculated vibrational frequencies for the adsorbed species with experimental data is found.

Research Organization:
National Energy Technology Laboratory (NETL), Pittsburgh, PA, Morgantown, WV, and Albany, OR (United States)
Sponsoring Organization:
USDOE - Office of Fossil Energy (FE)
DOE Contract Number:
None cited
OSTI ID:
923663
Report Number(s):
DOE/NETL-IR-2008-052; TRN: US200804%%1335
Journal Information:
Journal of Physical Chemistry. C, Vol. 111, Issue 49
Publisher:
American Chemical Society, Washington, DC
Country of Publication:
United States
Language:
English