Anharmonicity and guest–host coupling in clathrate hydrates
文献信息
B. Chazallon, H. Itoh, M. Koza, W. F. Kuhs, H. Schober
The dynamic response of Ar, Xe, O2 and N2-containing clathrate hydrates has been studied by neutron spectroscopy. Type I and type II clathrate hydrates show some small but significant differences in the low-frequency host contribution to the density of states. Both differ markedly from that of ice Ih and depend only weakly on the guest. While the vibrational modes associated with Xe and Ar are found to be close-to-harmonic, strong temperature dependent shifts are encountered for the O2 and N2 low-frequency vibrations. A coupling of the guest and host vibrations is confirmed by our experiments. Its strength depends strongly on the type of included guest. In particular Xe-hydrate cannot be considered representative as due to the large mass of the guest atom all its vibrational bands fall into the acoustic range of the host lattice.
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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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