Infrared study of CO adsorbed on Co/γ-Al2O3 based Fischer–Tropsch catalysts; semi-empirical calculations as a tool for vibrational assignments
文献情報
L. E. S. Rygh, O. H. Ellestad, P. Klæboe, C. J. Nielsen
The adsorption of CO(g) on a Co/γ-Al2O3 catalyst has been studied by diffuse reflectance infrared spectroscopy. The effects of pressure, temperature and the addition of O2(g) and H2(g) have been investigated. Vibrational bands can be assigned to specific carbonyl species on the reduced Co catalyst, at low surface concentration, via a theoretical model. The basis for the model is an empirical relation between the number of valence electrons in transition metal carbonyl complexes and the corresponding carbonyl stretching frequency. This relation has been extended to metallic surfaces and combined with results from extended Hückel calculations.
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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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