Optical bands of dodecanuclear compounds H4PVMo11O40·yH2O with Keggin structure. Semiclassical vibronic model
文献信息
S. Klokishner, J. Melsheimer, F. S. Jentoft, R. Schlögl
The problem of optical spectra of dodecanuclear clusters with the Keggin structure is considered. Charge-transfer and d–d-bands arising from intact and ill-defined species formed on different stages of disintegration of the heteropoly acid H4PVMo11O40·yH2O are investigated in detail. On the basis of the performed calculations the transformation of optical spectra of H4PVMo11O40·yH2O under increasing temperature and time on stream is explained.
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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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