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• W2012590552 abstract "Microcalorimetric and infrared spectroscopic (FTIR) measurements for the adsorption of ethylene on Pd/SiO2 and Pd/Sn/SiO2 catalysts (4 wt % Pd, Pd/Sn = 3) have been performed at temperatures of 300, 263, and 233 K. In addition, microcalorimetric measurements were made for H2 and CO adsorption and FTIR studies were conducted of CO adsorption at 300 K on these catalysts. Quantum chemical calculations employing density functional theory (DFT) were performed using Pd10 and Pd6Sn4 clusters. Ethylene adsorption on the catalysts results in the formation of ethylidyne species, di-σ-bonded ethylene, and π-bonded ethylene species at 300 K, with initial heats of adsorption of 160 and 110 kJ/mol for the Pd and Pd/Sn catalysts, respectively. Only di-σ-bonded ethylene and π-bonded ethylene species form at 263 and 233 K, with the π-bonded ethylene species dominating. The initial heats of ethylene adsorption are equal to 110 and 102 kJ/mol on Pd/SiO2 at 263 and 233 K, respectively; and these values are equal to 90 and 85 kJ/mol on Pd/Sn/SiO2 at these lower temperatures. In addition to the lower heats of ethylene adsorption caused by the addition of Sn, a new band at 1542 cm-1 is observed in the IR spectra of ethylene on Pd/Sn/SiO2, and this band is representative of a weakly adsorbed, π-bonded ethylene species. Quantum chemical calculations indicate that the electronic effect of Sn addition to Pd is most significant for adsorption at 3-fold sites (e.g., formation of ethylidyne species), the effect of Sn is smaller for adsorption at bridge-bonded sites (e.g., formation of di-σ-adsorbed ethylene), and the effect of Sn is smallest for adsorption at atop sites (e.g., formation of π-adsorbed ethylene)." @default.
• W2012590552 created "2016-06-24" @default.
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• W2012590552 date "2000-01-06" @default.
• W2012590552 modified "2023-10-17" @default.
• W2012590552 title "Microcalorimetric, Infrared Spectroscopic, and DFT Studies of Ethylene Adsorption on Pd and Pd/Sn Catalysts" @default.
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• W2012590552 doi "https://doi.org/10.1021/la991112a" @default.
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