In situ formation of Ni(CO)₄ contaminant during IR analyses using a metal-containing reaction cell

Abstract

The formation of ppm levels of volatile Ni(CO)4 occured in the presence of 1 kPa CO over a worn commercial cell used for diffuse reflectance FT-IR, but not on a...

Tracking and Understanding Dynamics of Atoms and Clusters of Late Transition Metals with In-Situ DRIFT and XAS Spectroscopy Assisted by DFT

“…Our DFT investigations found that CO adsorbed over CeO 2 does indeed have prominent peaks at 2173, 2152, and 2132 cm –1 over reduced CeO 2 (111), CeO 2 (111), and CeO 2 (211), respectively, as shown in Figure r. A peak at a lower wavenumber of about 2036 cm –1 could be assigned to impurities as also reported in the literature on a Au/SiO 2 catalyst. ,, In the DRIFTS spectra measured over an inert CaF 2 reference, two very weak CO vibrational frequencies at 2172 and 2116 cm –1 were observed, as shown in Figure S39b. Our DFT calculations of the CO vibrational frequency of Ni­(CO) 4 adsorbed over the CeO 2 (111) facet reveals that the most intense IR peak is located at 2035.1 cm –1 (Figure S39c).…”

“…A peak at a lower wavenumber of about 2036 cm −1 could be assigned to impurities as also reported in the literature on a Au/SiO 2 catalyst. 76,80,81 In the DRIFTS spectra measured over an inert CaF 2 reference, two very weak CO vibrational frequencies at A more detailed experimental investigation is currently planned.…”