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Вид документа : Статья из журнала Шифр издания :
Автор(ы) : Ekholm V., Chiuzbaian G. S., Sathe C., Nicolaou A., Guarise M., Simon M., Jaouen N., Luning J., Hague C. F., Gel'mukhanov F., Odelius M., Bjorneholm O., Rubensson, J-E
Заглавие : Core-hole localization and ultra-fast dissociation in SF6
Коллективы :
Swedish Research Council (VR)Swedish Research Council; Russian Science FoundationRussian Science Foundation (RSF) [16-12-10109]
Место публикации : J. Phys. B. - 2020. - Vol. 53, Is. 18. - Ст.185101. - ISSN 0953-4075, DOI 10.1088/1361-6455/aba204. - ISSN 1361-6455(eISSN) Примечания : Cited References: 36. - This work was supported by the Swedish Research Council (VR). The calculations were performed on resources provided by the Swedish National Infrastructure for Computing (SNIC). FG acknowledges support within the Russian Science Foundation (Project No. 16-12-10109)
Предметные рубрики: X-RAY-EMISSION SYMMETRY-BREAKING AB-INITIO SPECTROSCOPY SPECTRA Аннотация: Resonant inelastic x-ray scattering spectra excited at the fluorine K resonances of SF6 have been recorded. While a small but significant propensity for electronically parity-allowed transitions is found, the observation of parity-forbidden electronic transitions is attributed to vibronic coupling that breaks the global inversion symmetry of the electronic wavefunction and localizes the core hole. The dependence of the scattering cross section on the polarization of the incident radiation and the scattering angle is interpreted in terms of local π/σ symmetry around the S–F bond. This symmetry selectivity prevails during the dissociation that occurs during the scattering process.
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