Библиотека института физики им. Л.В. Киренского СО РАН

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Каталог книг и брошюр библиотеки ИФ СО РАН

Каталог журналов библиотеки ИФ СО РАН

Труды сотрудников ИФ СО РАН

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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Gerasimova M. A., Tomilin F. N., Malyar E. Y., Varganov S. A., Fedorov D. G., Ovchinnikov S. G., Slyusareva E. A.
Заглавие : Fluorescence and photoinduced proton transfer in the protolytic forms of fluorescein: Experimental and computational study
Место публикации : Dyes Pigm. - 2020. - Vol. 173. - Ст.107851. - ISSN 01437208 (ISSN), DOI 10.1016/j.dyepig.2019.107851
Примечания : 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 ).
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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Liu, Ji-Cai, Vaz da Cruz, Vinícius, Polyutov S. P., Föhlisch, Alexander, Gel'mukhanov F.
Заглавие : Recoil-induced dissociation in hard-X-ray photoionization
Место публикации : Phys. Rev. A. - 2019. - Vol. 100, Is. 5. - Ст.053408. - ISSN 2469-9926 (ISSN), DOI 10.1103/PhysRevA.100.053408. - ISSN 2469-9934 (eISSN)
Примечания : 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.
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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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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Korshunov M. A., Shabanov A. V., Bukhanov E. R., Shabanov V. F.
Заглавие : Effect of long-period ordering of the structure of a plant on the initial stages of photosynthesis
Место публикации : Dokl. Phys. - 2018. - Vol. 63, Is. 1. - P.1-4. - ISSN 10283358 (ISSN), DOI 10.1134/S1028335818010068
Примечания : Cited References: 15
Ключевые слова (''Своб.индексиров.''): 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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Вид документа : Статья из сборника (выпуск продолж. издания)
Шифр издания :
Автор(ы) : Parshin A. S., Igumenov A. Y., Mikhlin Y. L., Pchelyakov O. P., Zhigalov V. S.
Заглавие : Fine structure of inelastic electron scattering cross-section spectra for MN
Коллективы : International Scientific Conference Reshetnev Readings
Место публикации : IOP Conf. Ser.: Mater. Sci. Eng. - 2016. - Vol. 122, Is. 1. - , DOI 10.1088/1757-899X/122/1/012025
Ключевые слова (''Своб.индексиров.''): 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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Vasilchenko D., Vorob'eva S., Tkachev S., Baidina I. A., Belyaev A., Korenev S., Solovyov L., Vasiliev A. D.
Заглавие : Rhodium(III) speciation in concentrated nitric acid solutions
Коллективы : Russian Foundation for Basic Research [16-03-00549 A]; Ministry for Education and Science of the Russian Federation
Место публикации : Eur. J. Inorg. Chem.: Wiley-VCH Verlag, 2016. - Vol. 2016, Is. 23. - P.3822-3828. - ISSN 1434-1948, DOI 10.1002/ejic.201600523. - ISSN 1099-0682(eISSN)
Примечания : 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.
Предметные рубрики: MAGNETIC-RESONANCE
FISSION PLATINOIDS
AQUEOUS-SOLUTIONS
PT-195 NMR
RH(III)
SPECTROSCOPY
CHEMISTRY
DISSOCIATION
PLATINUM(IV)
COMPLEXES
Ключевые слова (''Своб.индексиров.''): 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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Вид документа : Статья из сборника (выпуск продолж. издания)
Шифр издания :
Автор(ы) : Parshin A. S., Igumenov A. Y., Mikhlin Y. L., Pchelyakov O. P., Zhigalov V. S.
Заглавие : Reflection electron energy loss spectroscopy of structures based on silicon and transition metals
Коллективы : International Scientific Conference Reshetnev Readings
Место публикации : IOP Conf. Ser.: Mater. Sci. Eng. - 2017. - Vol. 255, Is. 1. - Ст.012019. - , DOI 10.1088/1757-899X/255/1/012019
Примечания : Cited References: 24
Ключевые слова (''Своб.индексиров.''): 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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