Interaction of thiophene with a molybdenum disulfide catalyst—an inelastic neutron scattering study
Literature Information
The inelastic neutron scattering (INS) spectra of thiophene adsorbed on alumina, MoS2/alumina and CoMoS2/alumina catalysts reduced in hydrogen were obtained for surface concentrations of one thiophene monolayer or less. A series of model complexes was also investigated: [Cr(CO)3(η5-thiophene)], [Mn(CO)3(η5-thiophene)][CF3SO3], [Fe(η5-C5H5)(CO)2(η1-S-thiophene)][BF4] and [Fe(η5-C5H5) (CO)2]2. The spectra of adsorbed thiophene were obtained by subtraction of the spectra of the bare catalysts. Adsorbed thiophene was identified on the alumina support. The mass of thiophene adsorbed on the catalysts increased with increasing molybdenum content in the catalyst and most significantly with cobalt. Adsorbed thiophene interacts weakly with the surface; it is more like pure thiophene than co-ordinated thiophene. It lies mostly with the molecule aligned parallel with the surface with possibly a small proportion (5–10%) upright (S-bound). We discuss how these results help us to understand the role of the catalyst in thiophene hydrodesulfurisation.
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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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