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Труды сотрудников ИФ СО РАН

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Fine structure of inelastic electron scattering cross-section spectra for MN / A. S. Parshin [et al.] // IOP Conf. Ser.: Mater. Sci. Eng. - 2016. - Vol. 122, Is. 1, DOI 10.1088/1757-899X/122/1/012025
Кл.слова (ненормированные):
Atomic physics -- Dissociation -- Electron energy levels -- Electron scattering -- Electrons -- Energy dissipation -- Manganese -- Comparative analysis -- Electron energy loss spectrum -- Experimental spectra -- Fine structures -- Inelastic electron scattering cross sections -- Electron energy loss spectroscopy
Аннотация: The comparative analysis of the reflection electron energy loss spectra and the inelastic electron scattering cross-section spectra for Mn was carried out. It is shown that inelastic electron scattering cross-section spectra have certain advantages in the study of the interaction of electrons with the substance as compared to the electron energy loss spectra. The inelastic electron scattering cross section spectra fine structure was analysed by fitting the experimental spectra using the 3 parameters Lorentzian-type formula of Tougaard. This method was used for the quantitative analysis of the contributions of various loss processes in the inelastic electron scattering cross section spectra, determination of the loss peaks energies and origin. © Published under licence by IOP Publishing Ltd.

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Доп.точки доступа:
Parshin, A. S.; Igumenov, A. Y.; Mikhlin, Y. L.; Михлин, Юрий Леонидович; Pchelyakov, O. P.; Zhigalov, V. S.; Жигалов, Виктор Степанович; International Scientific Conference Reshetnev Readings(19 ; 10 - 14 Nov. 2015 ; Krasnoyarsk)
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Rhodium(III) speciation in concentrated nitric acid solutions / D. Vasilchenko [et al.] // Eur. J. Inorg. Chem. - 2016. - Vol. 2016, Is. 23. - P. 3822-3828, DOI 10.1002/ejic.201600523. - Cited References:31. - This work was supported by the Russian Foundation for Basic Research (grant number 16-03-00549 A). D. V. thanks the Ministry for Education and Science of the Russian Federation for the award of a President of the Russian Federation for Young Scientists Fellowship. . - ISSN 1434-1948. - ISSN 1099-0682

РУБ Chemistry, Inorganic & Nuclear
Рубрики:
MAGNETIC-RESONANCE
   FISSION PLATINOIDS
   AQUEOUS-SOLUTIONS
   PT-195 NMR
   RH(III)
   SPECTROSCOPY
   CHEMISTRY
   DISSOCIATION
   PLATINUM(IV)
   COMPLEXES
Кл.слова (ненормированные):
Rhodium -- NMR spectroscopy -- Nitrates
Аннотация: The interaction of rhodium(III) aqua ions with nitrate ions in 3–16 m nitric acid solutions has been studied by 103Rh and 15N NMR and Raman spectroscopy. The mononuclear complexes [Rh(H2O)6–n(NO3)n]3–n (n = 1–4) were found to be the only form of rhodium(III) existing in the solutions with the metal concentration in the range 0.2–1.3 m. The dynamics of the H2O → NO3– substitution process was studied at 80 °C. An increase in the average number of nitrate groups bonded to rhodium with increasing concentration of nitric acid was also determined. The fine crystalline salt Rb4trans-[Rh(H2O)2(NO3)4][Rh(NO3)6] was obtained by solvothermal concentration of the rhodium nitric acid solution on addition of rubidium nitrate. The structure of the salt was solved by the powder X-ray diffraction method, with monodentate coordination of nitrato ligands found for both the [Rh(NO3)6]3– and trans-[Rh(H2O)2(NO3)4]– anions.

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Держатели документа:
Russian Acad Sci, Nikolaev Inst Inorgan Chem, Siberian Branch, Novosibirsk 630090, Russia.
Novosibirsk State Univ, Novosibirsk 630090, Russia.
RAS, Inst Chem & Chem Technol, SB, Krasnoyarsk 660049, Russia.
RAS, Kirensky Inst Phys, SB, Krasnoyarsk 660036, Russia.
Siberian Fed Univ, 79 Svobodny Pr, Krasnoyarsk 660041, Russia.

Доп.точки доступа:
Vasilchenko, D.; Vorob'eva, S.; Tkachev, S.; Baidina, I. A.; Belyaev, A.; Korenev, S.; Solovyov, L.; Vasiliev, A. D.; Васильев, Александр Дмитриевич; Russian Foundation for Basic Research [16-03-00549 A]; Ministry for Education and Science of the Russian Federation
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Reflection electron energy loss spectroscopy of structures based on silicon and transition metals / A. S. Parshin [et al.] // IOP Conf. Ser.: Mater. Sci. Eng. - 2017. - Vol. 255, Is. 1. - Ст. 012019, DOI 10.1088/1757-899X/255/1/012019. - Cited References: 24
Кл.слова (ненормированные):
Dissociation -- Electron emission -- Electron energy levels -- Electron scattering -- Electrons -- Energy dissipation -- Iron -- Iron compounds -- Silicides -- Silicon compounds -- Transition metals
Аннотация: The investigation of iron silicides FeSi2, FeSi and Fe5Si3 with the methods of reflection electron energy loss spectroscopy and inelastic electron scattering cross-section spectroscopy was carried out. It is shown that the shape and peak energy position of electron energy loss spectra are almost identical to silicides with different composition, while the amplitude of inelastic electron scattering cross-section spectra decreases with increasing of iron content. The decomposition of inelastic electron scattering cross-section spectra of FeSi2, FeSi and Fe5Si3 to Tougaard peaks is used for unresolved energy loss peaks analysis, determination its energies and identification bulk and surface peaks. The amplitude of fitting peak describing bulk plasmon excitation can be used for identification of the iron silicides with different composition.

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Доп.точки доступа:
Parshin, A. S.; Паршин, Анатолий Сергеевич; Igumenov, A. Y.; Mikhlin, Y. L.; Михлин, Юрий Леонидович; Pchelyakov, O. P.; Zhigalov, V. S.; Жигалов, Виктор Степанович; International Scientific Conference Reshetnev Readings(20 ; 2016 ; Nov. 9-12 ; Krasnoyarsk)
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Effect of long-period ordering of the structure of a plant on the initial stages of photosynthesis / M. A. Korshunov [et al.] // Dokl. Phys. - 2018. - Vol. 63, Is. 1. - P. 1-4, DOI 10.1134/S1028335818010068. - Cited References: 15 . - ISSN 1028-3358
Кл.слова (ненормированные):
Electromagnetic fields -- Plants (botany) -- Density of photonic state -- Long wavelength -- Photosystems -- Plant leaves -- Soft modes -- Stopband -- Two bands -- Water dissociation -- Transfer matrix method
Аннотация: Using data on the structure of plant leaves, specific features of light propagation in biophotoniccrystal structures have been established by the transfer matrix method. Splitting of the stopband in two bands has been found. The density of photonic states and the electromagnetic field value have been calculated. The occurrence of two photosystems (splitting of the stopband in two bands), the peculiarity of the long-wavelength quantum yield and its enhancement (Emerson effect), and water dissociation in the soft mode due to an increase in the electromagnetic field on the layers are explained.

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Публикация на русском языке Влияние длиннопериодической упорядоченности в структуре растений на первичные стадии фотосинтеза [Текст] / М. А. Коршунов [и др.] // Докл. Акад. наук. - 2018. - Т. 478 № 3. - С. 280-283

Держатели документа:
Kirenskii Institute of Physics, Federal Research Center, Krasnoyarsk Science Center, Siberian Branch, Russian Academy of Sciences, Krasnoyarsk, Russian Federation
Federal Research Center, Krasnoyarsk Science Center, Siberian Branch, Russian Academy of Sciences, Krasnoyarsk, Russian Federation

Доп.точки доступа:
Korshunov, M. A.; Коршунов, Михаил Анатольевич; Shabanov, A. V.; Шабанов, Александр Васильевич; Bukhanov, E. R.; Shabanov, V. F.; Шабанов, Василий Филиппович
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Fluorescence and photoinduced proton transfer in the protolytic forms of fluorescein: Experimental and computational study / M. A. Gerasimova [et al.] // Dyes Pigm. - 2020. - Vol. 173. - Ст. 107851, DOI 10.1016/j.dyepig.2019.107851. - Cited References: 58. - This work is supported by the Russian Foundation for Basic Research, Russia (project 19-02-00450 ). S.A.V. thanks the National Science Foundation, United States for financial support through a CAREER Award ( CHE-1654547 ). . - ISSN 0143-7208
Кл.слова (ненормированные):
Fluorescein protolytic forms -- Absorption -- Fluorescence -- TD-DFT -- Proton transfer -- Excited-state dissociation constant
Аннотация: In contrast to the well-studied absorption spectra of different protolytic forms of fluorescein, the complex structure of the fluorescence spectra in a wide pH range is not completely understood because of the interplay between emission and photoinduced proton transfer in the electronic excited states. We provide insight into this interplay through a combined analysis of the experimental data, obtained by absorption and steady-state fluorescence spectroscopy at pH 0.3–10.5, and the time-dependent density functional theory (TD-DFT). The TD-DFT based computational model is validated on dianion and used to model the spectra of other protolytic forms. The protolytic/tautomeric forms of fluorescein are classified according to the partial charges on the triple chromophore ring, and electronic transitions are analyzed in terms of changes in molecular geometries and orbitals. A linear regression analysis between the calculated and experimental results based on both absorption and well-understood dianionic and cationic fluorescence peaks is used to assign the monoanionic (496 nm), neutral quinoid (550 nm) and neutral zwitterionic (483 nm) fluorescence peaks, whose positions were not clear prior to this work. The values of the excited-state dissociation microconstants pka* for different forms of fluorescein are calculated by means of the Forster cycle in conjunction with the spectroscopic measurements and computational data.

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Держатели документа:
Siberian Federal University, Svobodny Prospect 79, Krasnoyarsk, 660041, Russian Federation
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Akademgorodok 50/38, Krasnoyarsk, 660036, Russian Federation
Department of Chemistry, University of Nevada, Reno, North Virginia Street 1664, Reno, NV 89557-0216, United States
Research Center for Computational Design of Advanced Functional Materials, National Institute of Advanced Industrial Science and Technology, Central 2, Umezono 1-1-1, Tsukuba, 305-8568, Japan

Доп.точки доступа:
Gerasimova, M. A.; Tomilin, F. N.; Томилин, Феликс Николаевич; Malyar, E. Y.; Varganov, S. A.; Fedorov, D. G.; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Slyusareva, E. A.
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Recoil-induced dissociation in hard-X-ray photoionization / J. -C. Liu // Phys. Rev. A. - 2019. - Vol. 100, Is. 5. - Ст. 053408, DOI 10.1103/PhysRevA.100.053408. - Cited References: 42. - We thank Marc Simon and Renaud Guillemin for fruitful discussions of the experimental observation of the effect studied here. This work is supported by the Swedish Research Council (VR). J.-C.L. thanks the support by the National Science Foundation of China under Grants No. 11574082 and No. 11974108 and the Fundamental Research Funds for the Central Universities (No. 2018MS050). F.G. and S.P. acknowledge support within the State contract of the Ministry of Education and Science of the Russian Federation for Siberian Federal University for Scientific Research in 2017-2019 (Project No. 3.2662.2017); V.V.C. and A.F. acknowledge funding from the ERC-ADG-2014 - Advanced Investigator Grant No. 669531 EDAX under the Horizon 2020 EU Framework, Programme for Research and Innovation. . - ISSN 2469-9926. - ISSN 2469-9934
Аннотация: We predict the recoil-induced molecular dissociation in hard-x-ray photoionization. The recoil effect is caused by electronic and photon momentum exchange with the molecule. We show the strong role of relativistic effects for the studied molecular fragmentation. The recoil-induced fragmentation of the molecule is caused by elongation of the bond due to the vibrational recoil effect and because of the centrifugal force caused by the rotational recoil. The calculations of the x-ray photoelectron spectra of the H2 and NO molecules show that the predicted effects can be observed in high-energy synchrotrons like SOLEIL, SPring-8, PETRA, and XFEL SACLA. The relativistic effect enhances the recoil momentum transfer and makes it strongly sensitive to the direction of ejection of the fast photoelectron with respect to the photon momentum.

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Держатели документа:
Department of Mathematics and Physics, North China Electric Power University, 102206 Beijing, China
Collaborative Innovation Center of Light Manipulations and Applications, Shandong Normal University, Jinan 250358, China
University of Potsdam, Institute of Physics and Astronomy, Karl-Liebknecht-Strasse 24-25, 14476 Potsdam, Germany
Siberian Federal University, 660041 Krasnoyarsk, Russia
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, 660036 Krasnoyarsk, Russia
Institute for Methods and Instrumentation in Synchrotron Radiation Research FG-ISRR, Helmholtz-Zentrum Berlin f¨ur Materialien und Energie Albert-Einstein-Strasse 15, 12489 Berlin, Germany
Theoretical Chemistry & Biology, Royal Institute of Technology, S-106 91 Stockholm, Sweden

Доп.точки доступа:
Liu, Ji-Cai; Vaz da Cruz, Vinícius; Polyutov, S. P.; Полютов, Сергей Петрович; Föhlisch, Alexander; Gel'mukhanov, F.; Гельмуханов, Фарис Хафизович
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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 1361-6455

РУБ 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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