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Surface acidic properties of sulphated Fe2O3-TiO 2
K. Joseph Antony Raj, Konda Ramasamy Krishnamurthy, Balasubramanian Viswanathan
Published in
Volume: 50
Issue: 8
Pages: 1050 - 1055
Mixed iron and titanium oxides with varying quantities of sulphate species have been prepared by sulphation of ilmenite followed by calcination. A combined approach involving DFT and DRIFT spectroscopy has been adopted to determine the appropriate structure for adsorption of pyridine on sulphated Fe 2O3-TiO2 (SFT). The DRIFT spectra obtained for pyridine adsorbed SFT samples show equal number of Brønsted and Lewis acid sites. The TG-DTG analysis reveals the greater affinity for water and hydroxyl groups on SFT. Evaluation of IR frequencies for various structures based on DFT demonstrates that the adsorption of water/hydroxyl groups on S and/or Fe leads to the conversion of Lewis acid sites into Brønsted acid sites. Investigation of Mulliken charges for Fe, Ti, S and N for the pyridine adsorbed SFT structures demonstrates the preferable adsorption of pyridine on sulphur rather than on Fe.
About the journal
JournalIndian Journal of Chemistry - Section A Inorganic, Physical, Theoretical and Analytical Chemistry
Open AccessNo