Electric field effect on molecules: Relation between the orientation of the molecule with respect to the field and the vibrational frequency shift observed in IR spectra of molecules adsorbed in zeolites
文献情報
We propose a speculative approach to determine the orientation of a molecule in an electric field. In condensed media, the frequency of an internal vibrational mode is shifted with respect to the gas frequency. The spectra of some small molecules adsorbed in zeolites show that the direction of the shift depends on the mode (stretching or bending) and on the orientation of the molecular axis with respect to the surface. The sign of the shift is related to the direction of the transition dipole moment with respect to the direction of the electric field.
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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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