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Surface chemistry of alkyl and perfluoro ethers: a FTIR and ab initio study of adsorption and decomposition of CF3OCF3 on an Al2O3 surface |
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| Authors: | Ping Li L. M. Ng Jim Liang |
| Affiliation: | a Department of Chemistry, Cleveland State University, Cleveland, OH 44115, USA b University of Dayton Research Institute., Dayton, OH 45469-0168, USA |
| Abstract: | The adsorption and thermal decomposition of perfluorodimethyl ether, (CF3)2O, on a high-surface-area Al2O3 surface was investigated by FTIR under both vacuum and pressure conditions. IR spectra in the 4000-1050 cm−1 range were collected and the spectral assignments were assisted by quantum chemical ab initio calculations. The spectral evidence indicated that (CF3)2O decomposed to form adsorbed fluoroformate, FCOO (ads). Increases of temperature (up to 525 K) caused the FCOO (ads) to convert to hydrogen formate, HCOO (ads). Surface hydroxyl groups participated in the decomposition of (CF3)2O and the conversion of FCOO (ads) to HCOO (ads). A decomposition mechanism is proposed. |
| Keywords: | Ab initio quantum chemical methods and calculations Aluminum oxide Catalysis Fluorinated ethers Fluoroformate Infrared adsorption spectroscopy Polycrystalline surfaces Surface chemical reaction |
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