Abstract
The adsorption of 2-chloropyridine on SiO 2, TiO 2, ZrO 2, SiO 2–Al 2O 3 and H-mordenite has been studied by IR spectroscopy. The different modes of interaction with oxide surfaces, i.e. hydrogen-bonding and adsorption at Brønsted or Lewis acid sites, was modelled by ab initio calculations at the B3LYP/DZ+(d) level. Adsorption on SiO 2 results in hydrogen bonding to surface hydroxyl groups, whereas the spectra obtained following adsorption on TiO 2 and ZrO 2 display evidence for electron transfer at Lewis acidic surface sites. Protonation of 2-chloropyridine at Brønsted acidic sites was detected only for adsorption on SiO 2–Al 2O 3 and H-mordenite, indicating the presence of Brønsted acidic sites on these oxide surfaces with p K a values ≤0.70. IR studies of 2-chloropyridine adsorption can provide useful information regarding the nature of surface acidity on oxides which is complementary to that obtained from other probe molecules such as NHs and pyridine.
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