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Core-hole localization and ultra-fast dissociation in SF6 / V. Ekholm, G. S. Chiuzbaian, C. Sathe [et al.] // J. Phys. B. - 2020. - Vol. 53, Is. 18. - Ст. 185101, DOI 10.1088/1361-6455/aba204. - 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)
. - ISSN 0953-4075. - ISSN 1361-6455РУБ Optics + Physics, Atomic, Molecular & Chemical
Рубрики:
X-RAY-EMISSION
SYMMETRY-BREAKING
AB-INITIO
SPECTROSCOPY
SPECTRA
Кл.слова (ненормированные):
SF6 -- resonant inelastic x-ray scattering -- symmetry selection rules -- ultrafast dynamics -- vibronic couplings
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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Держатели документа:
Lund Univ, MAX IV Lab, Box 118, SE-22100 Lund, Sweden.
Uppsala Univ, Dept Phys & Astron, Box 516, SE-75120 Uppsala, Sweden.
Sorbonne Univ, F-75005 Paris, France.
CNRS, LCPMR, F-75005 Paris, France.
Synchrotron SOLEIL, LOrme Merisiers, BP 48, F-91192 Gif Sur Yvette, France.
Ctr Nacl Pesquisa Energia & Mat CNPEM, BR-10000 Campinas, Brazil.
Royal Inst Technol, Sch Biotechnol, Theoret Chem & Biol, S-10691 Stockholm, Sweden.
Siberian Fed Univ, Krasnoyarsk 660041, Russia.
Fed Res Ctr KSC SB RAS, Kirensky Inst Phys, Krasnoyarsk 660036, Russia.
Stockholm Univ, AlbaNova Univ Ctr, Dept Phys, SE-10691 Stockholm, Sweden.
Доп.точки доступа:
Ekholm, V.; Chiuzbaian, G. S.; Sathe, C.; Nicolaou, A.; Guarise, M.; Simon, M.; Jaouen, N.; Luning, J.; Hague, C. F.; Gel'mukhanov, F.; Гельмуханов, Фарис Хафизович; Odelius, M.; Bjorneholm, O.; Rubensson, J-E; Swedish Research Council (VR)Swedish Research Council; Russian Science FoundationRussian Science Foundation (RSF) [16-12-10109]
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