The surface acidity of oxides probed by IR spectroscopy of adsorbed diazines
Literature Information
Trevor J. Dines, Louise D. MacGregor, Colin H. Rochester
The IR spectra of the three diazines, pyrazine, pyrimidine and pyridazine have been measured following adsorption on, and subsequent desorption from, a variety of oxides: SiO2, TiO2, ZrO2, SiO2–Al2O3 and H-mordenite. Three modes of adsorption have been observed, (i) hydrogen bonding to surface hydroxy groups, (ii) electron transfer at Lewis acidic surface sites, and (iii) proton transfer at Brønsted acidic surface sites. In the latter case only monoprotonation was detected for SiO2–Al2O3 and H-mordenite, indicating the presence of Brønsted acidic sites with pKa values in the range 0.65 to 2.24. There was no evidence for diprotonation, which would indicate the presence of acidic sites with pKa values below 5.75. These results establish that the adsorption of diazines can provide useful information regarding the nature of surface acidity on oxides which is complementary to that obtained from other probe molecules such as NH3 and pyridine.
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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.














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