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1.
Применение оптоэлектронных устройств
для наблюдения доменных структур в ферромагнитных материалах / А. В. Чжан [и др.]> // Изв. вузов. Приборостроение. - 2012. -
T. 55
,
№ 12
. - С. 30-32. - Работа выполнена при поддержке гранта РФФИ №11–0200695-А . - ISSN 0021-3454
Перевод заглавия:
Application of optoelectronic devices for observation of domain structures in ferromagnetic materials
Кл.слова (ненормированные):
СПЕКТРАЛЬНАЯ ХАРАКТЕРИСТИКА
--
ИНФРАКРАСНОЕ ИЗЛУЧЕНИЕ
--
СВЕТОДИОД
--
ДОМЕННАЯ СТРУКТУРА
--
МАТРИЦА
--
ПОЛЯРИЗАТОР
--
SPECTRAL CHARACTERISTICS
--
INFRARED
--
LED
--
DOMAIN STRUCTURE
--
MATRIX
--
POLAROID
Аннотация:
Показана возможность использования устройств, снабженных приборами с зарядовой связью, для определения магнитных характеристик ферромагнитных материалов.
The possibility of the use of domain structures for determination of magnetic characteristics of ferromagnetic materials is demonstrated.
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Держатели документа:
Институт физики им. Л.В. Киренского СО РАН
Доп.точки доступа:
Чжан, Анатолий Владимирович; Chzhan, A. V.; Задворный, А. Г.; Середкин, Виталий Александрович; Seredkin V.A.; Патрин, Геннадий Семёнович; Patrin G.S.
}
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2.
Опалоподобные структуры на
основе субмикросфер полиметилметакрилата / И. В. Немцев, О. В. Шабанова, И. А. Тамбасов [и др.]> // Ученые зап. физ. фак-та МГУ. - 2020. -
№ 5
. - Ст. 2050101. - Библиогр.: 18 . - ISSN 2307-9665
Перевод заглавия:
Opal-like structures based on polymethylmethacrylate submicrospheres
Кл.слова (ненормированные):
самосборка
--
метаматериал
--
фотонный кристалл
--
опал
--
фотонная запрещенная зона
--
электронная микроскопия
--
инфракрасная спектроскопия
--
self-assembly
--
metamaterial
--
photonic crystal
--
opal
--
photonic band gap
--
electron microscopy
--
infrared
spectroscopy
Аннотация:
В данной работе методом самосборки из частиц полиметилметакрилата субмикронного размера с полидисперсностью менее 5% изготовлены двумерные и трехмерные метаматериалы - коллоидные кристаллы. Морфологические особенности полученных образцов исследованы на сканирующем электронном микроскопе сверхвысокого разрешения FE-SEM Hitachi S-5500. Три различные области поверхности трехмерного опала исследованы с помощью спектроскопии отраженного света с угловым разрешением. Измерения спектров проводились в диапазоне 400-1250 нм. Вышеуказанными методами обнаружена высокоупорядоченная структура. Выявлено узкое гранулометрическое распределение частиц. Определены средний диаметр частиц, плотность упаковки, добротность и отражательная способность образцов. На основе экспериментальных спектров отражения выполнена аппроксимация зависимости максимальной длины волны отражательной способности от угла, используя модифицированный закон Брэгга-Снеллиуса. На основании данной зависимости определены длина волны максимума отражения при нормальном падении, диаметр частиц и плотность упаковки. Рассчитана длина волны центра фотонной запрещенной зоны для высокоупорядоченной поверхности при нормальном падении. Экспериментально измеренная полная ширина пика на полувысоте для наилучшего образца составила 70 нм, а добротность - 12.4. Рассчитанный коэффициент заполнения для высокоупорядоченного опала составил 87 %. Средний диаметр частиц, полученный при помощи аппроксимации спектров отражения, отлично согласуется со значениями, полученными с помощью электронной микроскопии. Наиболее интересный результат заключается в том, что отражающая способность поверхности при нормальном падении света может достигать 98 %, и эта величина зависит от коэффициента заполнения - плотности упаковки.
In this paper, 2D and 3D metamaterials based on colloidal crystals are made from submicron-sized polymethylmethacrylate particles with a polydispersity of less than 5%. Morphological features of the obtained samples were studied using an ultra-highresolution FE-SEM Hitachi S-5500 scanning electron microscope. Three different surface areas of a three-dimensional opal was investigated using spectroscopy of the reflected light with the angular resolution. The spectra were measured in the range of 400- 1250 nm. The above methods revealed a highly ordered structure. A narrow particle size distribution was revealed. The average particle diameter, packing density, q-factor, and reflectivity of the samples were determined. Based on the experimental reflection spectra, the dependence of the maximum reflectivity wavelength on the angle is approximated using the modified Bragg-Snell law. Based on this dependence, the wavelength of the maximum reflection at normal incidence, the particle diameter, and the packing density are determined. The wavelength of the center of the photonic band gap is calculated for a highly ordered surface at normal incidence. The experimentally measured full width of the peak at half-height for the best sample was 70 nm, and the q factor was 12.4. The calculated filling factor for the highly ordered opal was 87%. The average particle diameter obtained by approximating the reflection spectra is in perfect agreement with the values obtained by electron microscopy. The most interesting result is that the reflectivity of the surface at normal light incidence can reach 98%, and this value depends on the filling factor the density of the package.
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РИНЦ
Держатели документа:
Федеральный исследовательский центр «Красноярский научный центр Сибирского отделения Российской академии наук»
Специальное конструкторско-технологическое бюро «Наука» Федеральный исследовательский центр «Красноярский научный центр Сибирского отделения Российской академии наук»
Институт физики им. Л.В. Киренского ФИЦ КНЦ СО РАН
Доп.точки доступа:
Немцев, И. В.; Шабанова, О. В.; Тамбасов, Игорь Анатольевич; Tambasov, I. A.; Иваненко, Александр Анатольевич; Ivanenko, A. A.; Зырянов, Виктор Яковлевич; Zyryanov, V. Ya.
}
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3.
Изучение роли октаэдрических
групп при фазовом переходе в кристалле Rb2KMoO3F3 методом инфракрасного поглощения / Ю. В. Герасимова [и др.]> // Физ. тверд. тела. - 2013. -
Т. 55
,
Вып. 11
. - С. 2215-2217
Аннотация:
Получены спектры инфракрасного поглощения оксифторида Rb2KMoO3F3 в области частот, соответствующих валентным колебаниям Mo-O анионного октаэдра, с целью выяснения их роли при фазовом переходе. Проведен полуэмпирический расчет двух возможных конфигураций квазиоктаэдрических групп MoO3F3. Результаты исследований показали, что при фазовом переходе (T=197 K) в структуре кристалла часть октаэдров меняет локальную симметрию с C3v на C2v.
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Переводная версия
Infrared
absorption investigation of the role of octahedral groups upon the phase transition in the Rb2KMoO3F3 crystal. - [Б. м. : б. и.]
Держатели документа:
Институт физики им. Л.В. Киренского СО РАН
Доп.точки доступа:
Герасимова, Юлия Валентиновна; Gerasimova, J.V.; Орешонков, Александр Сергеевич; Oreshonkov, A.S.; Втюрин, Александр Николаевич; Vtyurin, A. N.; Иваненко, Александр Анатольевич; Ivanenko, A. A.; Исаенко, Л. И.; Ершов, Александр Андреевич; Ershov, A. A.; Погорельцев, Евгений Ильич; Pogoreltsev, E. I.
}
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4.
Vibrational spectroscopy of
alkaline tungsten oxyfluoride crystals: structure, lattice dynamics, ordering processes, and phase transitions [Text] / A. N. Vtyurin [et al.]> // J. Raman Spectrosc. - 2010. -
Vol. 41
,
Is. 12
. - P1784-1791,
DOI
10.1002/jrs.2637. - Cited Reference Count: 13. - Гранты: We would like to thank Prof. Igor Flerov for fruitful discussion. Technical assistance of Victor Ouskin is highly appreciated. This work has been supported by the Russian Foundation for Basic Researches, grant no. 08-02-00066-a. - Финансирующая организация: Russian Foundation for Basic Researches [08-02-00066-a] . - DEC. - ISSN 0377-0486
Рубрики:
Кл.слова (ненормированные):
Raman scattering
--
infrared
absorption
--
alcaline tungsten oxyfluorides
--
phase transitions
--
alcaline tungsten oxyfluorides
--
infrared
absorption
--
phasetransitions
--
Raman scattering
Аннотация:
Raman scattering (RS) and
infrared
absorption (IR) of ammonium oxyfluoride crystals (NH(4))(3)WO(3)F(3), (NH(4))(2)KWO(3)F(3), and Cs(2)(NH(4))WO(3)F(3) are compared. Conformation of the WO(3)F(3) octahedral groups has been established; anomalies have been found close to the transition temperatures in the internal vibrational regions of ammonium and WO(3)F(3) groups. The phase transition in (NH(4))(3)WO(3)F(3) is associated mostly with the ordering of octahedral groups and formation of W-O center dot center dot center dot H-N hydrogen bonds. In (NH(4))(2)KWO(3)F(3) crystal, the transition is not related to the ordering processes; CS(2)(NH(4))WO(3)F(3) retains its disordered structure down to 10 K. Copyright (C) 2010 John Wiley & Sons, Ltd.
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eLibrary
Держатели документа:
LV Kirenskii Inst Phys, Krasnoyarsk 660036, Russia
Siberian Fed Univ, Krasnoyarsk 660041, Russia
Russian Acad Sci, Inst Chem, Vladivostok 690022, Russia
Доп.точки доступа:
Vtyurin, A.N.; Gerasimova, J.V.; Krylov, A.S.; Ivanenko, A.A.; Shestakov, N.P.; Laptash, N.M.; Voyt, E.I.
}
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5.
Vibrational spectra of
NdF3 crystal / A. S. Oreshonkov [et al.]> // Ferroelectrics. - 2016. -
Vol. 501
,
Is. 1
. - P. 15-19,
DOI
10.1080/00150193.2016.1198201. - Cited References: 15. - The reported study was funded by RFBR according to the research project No. 16-32-00351 mol_a. It was partially supported by the Ministry of Education and Science of the Russian Federation and the “Krasnoyarsky regional fund of scientific support and scientific-technical activity.” . - ISSN 0015-0193
Кл.слова (ненормированные):
Trifluorides
--
tysonite structure
--
Raman spectroscopy
--
Infrared
spectroscopy
Аннотация:
The vibrational spectroscopy investigation of phase transitions in NdF3 crystal is reported. Spectra were obtained in temperature range from 300 to 10 K. It has been shown that, down to 10 K, the trigonal tysonite structure of NdF3 trifluoride remains stable. © 2016 Taylor & Francis Group, LLC.
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Держатели документа:
Kirensky Institute of Physics, SB RAS, Krasnoyarsk, Russian Federation
Siberian Federal University, Krasnoyarsk, Russian Federation
Доп.точки доступа:
Oreshonkov, A. S.; Орешонков, Александр Сергеевич; Krylov, A. S.; Крылов, Александр Сергеевич; Shestakov, N. P.; Шестаков, Николай Петрович; Voronov, V. N.; Воронов, Владимир Николаевич; Ershov, A. A.; Ершов, Александр Андреевич; Strikina, E. A.; Стрикина, Екатерина Андреевна; Vtyurin, A. N.; Втюрин, Александр Николаевич
}
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6.
Ultra-wide Vis–NIR Mg2Al4Si5O18:Eu2+,Cr3+
phosphor containing unusual NIR luminescence induced by Cr3+ occupying tetrahedral coordination for hyperspectral imaging / X. Zou, H. Zhang, W. Li [et al.]> // Adv. Opt. Mater. - 2022. -
Vol. 10
. Is. 19. - Ст. 2200882,
DOI
10.1002/adom.202200882. - Cited References: 48. - The work was supported from the National Natural Science Foundations of China (No. 21671070, 51802101), the Guangdong Basic and Applied Basic Research Foundation (No. 2021A1515012613), the Independent Research and Development Projects of Maoming Laboratory (No. 2021ZZ004), the Key Realm R&D Program of Guangdong Province (No. 2021B0707010003), the Guangdong Provincial Science & Technology Project (No. 2020A1414010046), the Guangzhou Science & Technology Project (No. 202007020005, 202103000059, and 202102020410), the Project of GDUPS (2018) for Prof. Bingfu LEI, the Guangdong Provincial Special Fund for Modern Agriculture Industry Technology Innovation Teams (No. 2021KJ122), and the Natural Science Foundation of Guangdong Province (No. 2022A1515010229, 2018A030310217) . - ISSN 2195-1071
Перевод заглавия:
Люминофор Mg2Al4Si5O18:Eu2+,Cr3+ со сверхшироким спектром от видимого до ИК, содержащий необычную ИК люминесценцию, индуцированную Cr3+, который занимает тетраэдрическую позицию, для гиперспектральной визуализации
Кл.слова (ненормированные):
energy transfer
--
hyperspectral imaging
--
light-emitting diodes
--
near-
infrared
emission
Аннотация:
Cr3+-activated broadband near-
infrared
(NIR) phosphors, featured by the octahedral coordination preference and strong absorption in visible (Vis) region, have great potential application in nondestructive assessment. It is still a challenge to develop Cr3+-doped phosphors with the tetrahedrally coordinated Cr3+ NIR emission behavior and ultra-wide Vis–NIR luminescence. Herein, an unusual NIR-emitting Mg2Al4Si5O18:Cr3+ phosphor offers emission peak at 867 nm with full-width at half-maximum of 237 nm due to preferential occupation of the AlO4 tetrahedra by Cr3+ as demonstrated by structural and optical properties studies. Eu2+–Cr3+ energy transfer is proposed to induce ultra-wide Vis–NIR Mg2Al4Si5O18:Eu2+,Cr3+ phosphors with more efficient NIR emission and lower thermal quenching behavior of Cr3+. The fabricated Vis–NIR phosphor-converted light-emitting diode is expected to be an alternative to halogen lamp in hyperspectral imaging. This work reveals the luminescence behavior of Cr3+ in tetrahedra and demonstrates the application of Mg2Al4Si5O18:Eu2+,Cr3+ phosphor in hyperspectral imaging, which will facilitate further research on NIR and Vis–NIR phosphors.
Scopus
,
Scopus
Держатели документа:
Key Laboratory for Biobased Materials and Energy of Ministry of Education, College of Materials and Energy, South China Agricultural University Guangzhou, Guangdong510642, China
Maoming Branch, Guangdong Laboratory for Lingnan Modern Agriculture, Guangdong, Maoming, 525100, China
Laboratory of Crystal Physics, Kirensky Institute of Physics, Krasnoyarsk Science Center of the Siberian Branch of the Russian Academy of Sciences (KSC FRC SB RAS), Krasnoyarsk, 660036, Russian Federation
The State Key Laboratory of Luminescent Materials and Devices, Guangdong Provincial Key Laboratory of Fiber Laser Materials and Applied Techniques, School of Physics and Optoelectronics, South China University of Technology, Guangzhou, 510641, China
Institute of Urban Agriculture, Chinese Academy of Agricultural Sciences, Chengdu, 610213, China
Доп.точки доступа:
Zou, X.; Zhang, H.; Li, W.; Zheng, M.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Xia, Z.; Zheng, Y.; Li, Q.; Liu, Y.; Zhang, X.; Lei, B.
}
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7.
Ultra-narrowband selective tunable
filters for visible and
infrared
wavelength ranges / A. D. Utyushev [et al.]. - Electronic text data> // ArXiv. - 2019. - Ст. 1907.04076. - Cited References: 57. - The reported study was funded by the Russian Science Foundation (Project No.18-13-00363) (the reflection spectra of plasmonic NPs arrays); the RF Ministry of Science and Higher Education, the State contract with Siberian Federal University for scientific research in 2017–2019 (Grant No.3.8896.2017)(the reflection spectra of all-dielectric NPs arrays); A.E. thanks the grant of the President of Russian Federation (agreement 075-15-2019-676).
Рубрики:
Optics
Аннотация:
The interaction of non-monochromatic radiation with two types of arrays comprising both plasmonic and dielectric nanoparticles has been studied in detail. We have shown that dielectric nanoparticle arrays provide a complete selective reflection of an incident plane wave within a narrow spectral line of collective lattice resonance with a Q-factor of 103 or larger, whereas plasmonic refractory TiN and chemically stable Au nanoparticle arrays demonstrated high-Q resonances with moderate reflectivity. The spectral position of these resonance lines is determined by the lattice period, as well as the size, shape and material composition of the particles. Moreover, the arrays, with fixed dimensional parameters make it possible to fine-tune the position of a selected resonant spectral line by tilting the array relative to the direction of the incident radiation. These effects provide possibilities for engineering of novel selective tunable optical high-Q filters in a wide range of wavelengths: from visible to middle IR. Several highly refractive dielectric nanoparticle materials with low absorption are proposed for various spectral ranges, such as LiNbO3, TiO2, GaAs, Si, and Ge.
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Держатели документа:
Siberian Federal University, Krasnoyarsk, 660041, Russia
Siberian State University of Science and Technology, 660014, Krasnoyarsk, Russia
Institute of Computational Modeling SB RAS, Krasnoyarsk 660036, Russia
Federal Siberian Research Clinical Center under FMBA of Russia, Krasnoyarsk, 660037, Russia
Department of Theoretical Chemistry and Biology, School of Engineering Sciences in Chemistry, Biotechnology and Health, Royal Institute of Technology, Stockholm, SE-10691, Sweden
The Institute of Optics, University of Rochester, Rochester, NY 14627, USA
L.V. Kirensky Institute of Physics, Federal Research Center KSC SB RAS, 660036, Krasnoyarsk, Russia
Доп.точки доступа:
Utyushev, A. D.; Isaev, I. L.; Gerasimov, V. S.; Герасимов, Валерий Сергеевич; Ershov, A. E.; Ершов, Александр Евгеньевич; Zakomirnyi, V. I.; Rasskazov, I. L.; Polyutov, S. P.; Полютов, Сергей Петрович; Ågren, H.; Karpov, S. V.; Карпов, Сергей Васильевич
}
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8.
Two-site Cr3+ occupation
in the MgTa2O6:Cr3+ phosphor toward broad-band near-
infrared
emission for vessel visualization / G. C. Liu, M. S. Molokeev, B. F. Lei, Z. G. Xia> // J. Mater. Chem. C. - 2020. -
Vol. 8
,
Is. 27
. - P. 9322-9328,
DOI
10.1039/d0tc01951h. - Cited References: 52. - The present work was supported by the National Natural Science Foundations of China (Grant No. 51972118, 51961145101 and 51722202), Fundamental Research Funds for the Central Universities (D2190980), the Guangzhou Science & Technology Project (202007020005), the Guangdong Provincial Science & Technology Project (No. 2018A050506004), and the Local Innovative and Research Teams Project of Guangdong Pearl River Talents Program (2017BT01X137). This work is also funded by RFBR according to the research project No. 19-52-80003. . - ISSN 2050-7526. - ISSN 2050-7534
Перевод заглавия:
Заселение Cr3+ двух кристаллографических позиций в люминофоре MgTa2O6:Cr3+ для широкополосного ближнего инфракрасного излучения используемого для визуализации сосудов
РУБ
Materials Science, Multidisciplinary + Physics, Applied
Рубрики:
LIGHT-SOURCES
PHOSPHOR
LUMINESCENCE
PHOTOLUMINESCENCE
Аннотация:
Near-
infrared
(NIR) phosphor-converted light-emitting diodes (pc-LEDs) have great potential in photonic, optoelectronic and biological applications, while the discovery of a broad-band NIR phosphor still remains a challenge. Here, we report a novel Cr3+-activated MgTa2O6 phosphor with an asymmetrical emission band ranging from 700 to 1150 nm and a large full width at half maximum (FWHM) of 140 nm upon 460 nm blue light excitation. The broad spectrum is assigned to the overlap of two bands centered at 910 and 834 nm, which originate from the spin-allowed transition of 4T2 → 4A2 for different Cr3+ ions located in the two six-coordinated crystallographic sites of Mg2+ and Ta5+, respectively. The distribution of blood vessels and bones in human palm and wrist is observed with the assistance of a commercial NIR camera and a fabricated pc-LED, which demonstrates that the MgTa2O6:Cr3+ phosphor is promising in biological applications.
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Держатели документа:
South China Univ Technol, Sch Mat Sci & Technol, State Key Lab Luminescent Mat & Devices, Guangdong Prov Key Lab Fiber Laser Mat & Appl Tec, Guangzhou 510640, Peoples R China.
Fed Res Ctr KSC SB RAS, Lab Crystal Phys, Kirensky Inst Phys, Krasnoyarsk 660036, Russia.
Siberian Fed Univ, Krasnoyarsk 660041, Russia.
Far Eastern State Transport Univ, Dept Phys, Khabarovsk 680021, Russia.
South China Agr Univ, Coll Mat & Energy, Guangdong Prov Engn Technol Res Ctr Opt Agr, Guangzhou 510642, Peoples R China.
Доп.точки доступа:
Liu, Gaochao; Molokeev, M. S.; Молокеев, Максим Сергеевич; Lei, Bingfu; Xia, Zhiguo
}
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9.
Two salts and
the salt cocrystal of ciprofloxacin with thiobarbituric and barbituric acids: The structure and properties / N. N. Golovnev [et al.]> // J. Phys. Org. Chem. - 2018. -
Vol. 31
,
Is. 3
. - Ст. e3773,
DOI
10.1002/poc.3773. - Cited References: 58. - The study was performed within the public task of the Ministry of Education and Science of the Russian Federation to the Siberian Federal University (4.7666.2017/BP) in 2017 to 2019. The reported study was funded by RFBR according to research projects 16-52-48010 and 17-52-53031. The X-ray data from single crystals were obtained with the use of the analytical equipment from the SB RAS Krasnoyarsk Center of collective use. . - ISSN 0894-3230
Перевод заглавия:
Две соли и соляной кристалл ципрофлоксацина с тиобарбитуровой и барбитуровой кислотами: структура и свойства
Кл.слова (ненормированные):
Barbituric and thiobarbituric acids
--
Ciprofloxacin
--
Infrared
spectroscopy
--
Salt cocrystal
--
Thermal stability
--
X-ray diffraction
Аннотация:
Ciprofloxacin (CfH, C17H18FN3O3) crystallizes with 2-thiobarbituric (H2tba) and barbituric acid (H2ba) in the aqueous solution to yield salt CfH2(Htba)·3H2O (1), salt cocrystal CfH2(Hba)(H2ba)·3H2O (2), and salt CfH2(Hba)·H2O (3). The compounds are structurally characterized by the X-ray single-crystal diffraction. The numerous intermolecular hydrogen bonds N–H⋯O and O–H⋯O formed by water molecules, Htba−/Hba− and CfH2+ ions, and H2ba molecules stabilize the crystal structures of 1 to 3. Hydrogen bonds form a 2D plane network in the salts of 1 and 3 and a 3D network in the salt cocrystal of 2. There are different π-π interactions in 1 to 3. The compounds have been characterized by powder X-ray diffraction, thermogravimetry/differential scanning calorimetry, and Fourier transform
infrared
spectroscopy. The compounds dehydration ends at 130°C to 150°C, and their oxidative decomposition is observed in the range of 250°C to 275°C.
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Держатели документа:
Siberian Federal University Krasnoyarsk Russia
Laboratory of Crystal Physics Kirensky Institute of Physics, Federal Research Center KSC SB RAS Krasnoyarsk Russia
Department of Physics Far Eastern State Transport University Khabarovsk Russia
Laboratory of Optical Materials and Structures Institute of Semiconductor Physics SB RAS Novosibirsk Russia
Laboratory of Semiconductor and Dielectric Materials Novosibirsk State University Novosibirsk Russia
Доп.точки доступа:
Golovnev, N. N.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Lesnikov, M. K.; Atuchin, V. V.
}
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10.
Two novel mixed-ligand
Ni(II) and Co(II) complexes with 1,10-phenanthroline: Synthesis, structural characterization, and thermal stability / N. N. Golovnev [et al.]> // Chem. Phys. Lett. - 2018. -
Vol. 708
. - P. 11-16,
DOI
10.1016/j.cplett.2018.07.058. - Cited References: 29. - The study was carried out within the public task of the Ministry of Education and Science of the Russian Federation to the Siberian Federal University (4.7666.2017/BP) in 2017-2019. X-ray data from single crystals were obtained with use the analytical equipment of Baikal Center of collective use of SB RAS and with use the analytical equipment of Krasnoyarsk Center of collective use of SB RAS. . - ISSN 0009-2614
Перевод заглавия:
Два новых комплекса смешанных лигандов Ni (II) и Co (II) с 1,10-фенантролином: синтез, структурная характеризация и термическая стабильность
Кл.слова (ненормированные):
Barbituric acid
--
1,10-Phenanthroline complexes
--
X-ray diffraction
--
Thermal decomposition
--
Infrared
spectroscopy
Аннотация:
Two nickel(II) and cobalt(II) complexes with phenanthroline, [Ni(Phen)(H2O)3Br]Br (1) and [Co(Phen)2(H2O)2](Hba)2·2H2O (2), Phen = 1,10-phenanthroline and Hba− = barbiturate anion, were synthesized and characterized by powder XRD, TGA and FT-IR. Their structures were determined by single crystal X-ray diffraction techniques. The Ni2+ ion is coordinated by two N atoms of Phen molecule, Br− ion and three H2O molecules forming an octahedron. Uncoordinated and coordinated Br− ions are connected with water molecules by OH⋯Br intermolecular hydrogen bonds with the formation of a 2D plane network which is extended into a 3D network by π−π stacking interactions. The [Co(Phen)2(H2O)2]2+ cation contains a six-coordinated cobalt atom chelated by two Phen ligands and two aqua ligands in the cis arrangement. NH⋯O, OH⋯O and CH⋯O intermolecular hydrogen bonds form a 3D net. NH⋯O hydrogen bonds form the infinite chains of Hba–. In addition, coordinated Phen molecules and lattice water molecules are linked via CH⋯OW hydrogen bonds to form infinite zigzag chains. These different chains are connected by OWH⋯O hydrogen bonds. π−π interaction plays an important role in the stabilization of structures 1–2. FT-IR, TGA, the diffuse reflectance, and UV–Vis spectra were also used to characterize these compounds.
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Держатели документа:
Siberian Federal University, 79 Svobodny Ave., Krasnoyarsk, Russian Federation
Laboratory of Crystal Physics, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, bld. 38 Akademgorodok 50, Krasnoyarsk, Russian Federation
Department of Physics, Far Eastern State Transport University, 47 Seryshev Str., Khabarovsk, Russian Federation
Favorsky Institute of Chemistry, Siberian Branch, Russian Academy of Sciences, 1 Favorsky, Irkutsk, Russian Federation
Доп.точки доступа:
Golovnev, N. N.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Sterkhova, I. V.; Lesnikov, M. K.
}
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11.
Thiobarbiturate and barbiturate
salts of pefloxacin drug: Growth, structure, thermal stability and IR-spectra / N. N. Golovnev [et al.]> // J. Mol. Struct. - 2017. -
Vol. 1149
. - P. 367-372,
DOI
10.1016/j.molstruc.2017.08.011. - Cited References: 41. - The study was carried out within the public task of the Ministry of Education and Science of the Russian Federation to the Siberian Federal University (4.7666.2017/BP) in 2017–2019. The reported study was funded by RFBR according to the research project 16-52-48010 and 17-52-53031. The X-ray data from single crystals were obtained with the use of the analytical equipment of the SB RAS Baikal Collective Use Center and using the analytical equipment of the SB RAS Krasnoyarsk Collective Use Center. . - ISSN 0022-2860
Перевод заглавия:
Тиобарбитуровая и барбитуровая соли пефлоксацина: Синтез, структура, термическая стабильность и ИК-спектры
Кл.слова (ненормированные):
Thiobarbituric acid
--
Barbituric acid
--
Pefloxacin
--
X-ray diffraction
--
Infrared
spectroscopy
--
Salts
--
Thermal stability
Аннотация:
Three new salts of pefloxacin (PefH) with thiobarbituric (H2tba) and barbituric (H2ba) acids, pefloxacinium 2-thiobarbiturate trihydrate, PefH2(Htba)·3H2O (1), pefloxacinium 2-thiobarbiturate, PefH2(Htba) (2) and bis(pefloxacinium barbiturate) hydrate, (PefH2)2(Hba)2·2.56H2O (3) are synthesized and structurally characterized by the X-ray single-crystal diffraction. The structures of 1–3 contain intramolecular hydrogen bonds C–H⋯F, O–H⋯O. Intermolecular hydrogen bonds N–H⋯O and O–H⋯O form a 2D plane network in 1. In 2 and 3, intermolecular hydrogen bonds N–H⋯O form the infinite chains. In 1–3, the Htba− and Hba− ions are connected with PefH2 + only by one intermolecular hydrogen bond N–H⋯O. In 2 and 3, two Htba− and Hba− ions are connected by two hydrogen bonds N–H⋯O. These pairs form infinite chains. All three structures are stabilized by the π−π interactions of the head-to-tail type between PefH2 + ions. Compounds 2 and 3 are characterized by powder XRD, TG-DSC and FT-IR.
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Держатели документа:
Siberian Federal University, 79 Svobodny Ave.Krasnoyarsk, Russian Federation
Laboratory of Crystal Physics, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Bld. 38 Akademgorodok 50Krasnoyarsk, Russian Federation
Department of Physics, Far Eastern State Transport University, 47 Seryshev Str.Khabarovsk, Russian Federation
Laboratory of Physical Chemistry, Irkutsk Favorsky Institute of Chemistry, SB RAS, 1 FavorskyIrkutsk, Russian Federation
Laboratory of Optical Materials and Structures, Institute of Semiconductor Physics, SB RASNovosibirsk, Russian Federation
Laboratory of Semiconductor and Dielectric Materials, Novosibirsk State UniversityNovosibirsk, Russian Federation
Доп.точки доступа:
Golovnev, N. N.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Lesnikov, M. K.; Sterkhova, I. V.; Atuchin, V. V.
}
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12.
Theoretical DFT interpretation
of
infrared
spectra of biologically active arabinogalactan sulphated derivatives / A. S. Kazachenko, F. N. Tomilin, A. A. Pozdnyakova [et al.]> // Chem. Pap. - 2020. -
Vol. 74
,
Is. 11
. - P. 4103-4113,
DOI
10.1007/s11696-020-01220-3. - Cited References: 52. - The reported work was funded by RFBR and the government of Krasnoyarsk region according to the research project. 18-43-242003. The study was carried out using equipment of the Krasnoyarsk Regional Center of Research Equipment, Federal Research Center "Krasnoyarsk Science Center SB RAS". Publication was also partially supported by Project FSWM-2020-0033 of Russian Ministry of Science and Education.The authors are grateful to I.V. Korolkova for IR-spectra. . - ISSN 2585-7290. - ISSN 1336-9075
РУБ
Chemistry, Multidisciplinary
Рубрики:
DENSITY-FUNCTIONAL THEORIES
ASTRAGALUS POLYSACCHARIDE
ANTICOAGULANT
Кл.слова (ненормированные):
Arabinogalactan
--
Sulphated arabinogalactan
--
FTIR-spectra
--
Molecular structure
--
Density functional theory
Аннотация:
Arabinogalactan (AG) and sulphated arabinogalactans which are products of chemical modification of arabinogalactan polysaccharide with anticoagulant properties were studied by experimental
infrared
(IR) spectroscopy combined with density functional theory simulations. Mutual analysis of experimental and theoretical IR frequencies indicates that the discrepancies between experiment and theory is caused by the influence of –OH groups, which led to the energy shift and broadening of the absorption IR bands. It was found that theoretical and experimental spectra correspond well within the 3000–4000 cm−1 spectral region. Addition of sulphur group in AG structure causes hydroxyl group to become accessible for further sulphation. The difference between experimental and theoretical IR frequencies of sulphated AG derivatives is greater than that of the parent arabinogalactan due to the increase in the number of possible isomers and conformers.
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Держатели документа:
FRC Krasnoyarsk Sci Ctr SB RAS, Inst Chem & Chem Technol SB RAS, 50-24 Akademgorodok, Krasnoyarsk 660036, Russia.
Siberian Fed Univ, 79 Svobodny Pr, Krasnoyarsk 660041, Russia.
FRC Krasnoyarsk Sci Ctr SB RAS, Kirensky Inst Phys SB RAS, 50-38 Akademgorodok, Krasnoyarsk 660036, Russia.
Natl Res Tomsk State Univ, Lenin Ave 36, Tomsk 634050, Russia.
Kyungpook Natl Univ, Dept Chem, 80 Daehak Ro, Daegu 41566, South Korea.
Kyungpook Natl Univ, Green Nano Mat Res Ctr, 80 Daehak Ro, Daegu 41566, South Korea.
Доп.точки доступа:
Kazachenko, Aleksandr S.; Tomilin, F. N.; Томилин, Феликс Николаевич; Pozdnyakova, Anastasia A.; Vasilyeva, Natalia Yu; Malyar, Yuriy N.; Kuznetsova, Svetlana A.; Avramov, P. V.; Аврамов, Павел Вениаминович; RFBRRussian Foundation for Basic Research (RFBR); government of Krasnoyarsk region [18-43-242003]; Russian Ministry of Science and EducationMinistry of Education and Science, Russian Federation [FSWM-2020-0033]
}
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13.
The cis-trans isomer
transformation, spectroscopic and thermal properties of Li, Na, K 1,3-diethyl-2-thiobarbiturate complexes / N. N. Golovnev [et al.]> // Polyhedron. - 2015. -
Vol. 85
. - P. 493-498,
DOI
10.1016/j.poly.2014.09.011. - Cited References:42. - The study has been carried out within the public task of the Ministry ofEducation and Science of the Russian Federation for research engineeringat the Siberian Federal University in 2014. V.V.A. is partly supportedby the Ministry of Education and Science of the Russian Federation. . - ISSN 0277-5387
Перевод заглавия:
Трансформация цис-транс изомеров, спектроскопические и термические свойства Li, Na, K 1,3-диэтил-2-тиобарбитуратных комплексов
РУБ
Chemistry, Inorganic & Nuclear + Crystallography
Рубрики:
CRYSTAL-STRUCTURE
2-THIOBARBITURIC ACID
STRUCTURAL-CHARACTERIZATION
HYDROGEN-BOND
DIFFRACTION
THIOBARBITURATE
CHEMISTRY
NETWORKS
SPECTRA
SERIES
Кл.слова (ненормированные):
1,3-Diethyl-2-thiobarbituric acid
--
Alkali ions
--
X-ray diffraction
--
Infrared
spectroscopy
--
Thermal analysis
Аннотация:
Three new complexes of 1,3-diethyl-2-thiobarbituric acid (C8H11N2O2S, HDETBA) with Li+, Na+, K+ alkali ions were synthesized. The complexes have been prepared by neutralization of 1,3-diethyl-2-thiobarbituric acid with the corresponding metal hydroxide in aqueous solution. The colorless crystals have been investigated using X-ray single crystal and powder techniques and characterized by differential scanning calorimetry, thermogravimetry and
infrared
spectroscopy. The compounds of MDETBA with M = Li and M = Na crystallize in the monoclinic lattice with a = 10.678(1) Å, b = 7.2687(9) Å, c = 13.202(2) Å, β = 108.841(2)°, Z = 4, V = 969.8(2) Å3, S.G. P21/n and a = 10.534(2) Å, b = 7.604(1) Å, c = 14.186(1) Å, β = 108.964(4)°, Z = 4, V = 1074.6(3) Å3, S.G. P21/n, respectively. Сompound KDETBA crystallizes in the orthorhombic lattice with a = 4.2541(6) Å, b = 14.739(2) Å, c = 16.635(3) Å, Z = 4, V = 1043.1(3) Å3, S.G. P212121. In Li(I) and Na(I) complexes, the DETBA− ion is in cis-configuration and, in the K(I) complex, this ion is in trans-configuration. The reason for the transformation from cis- to trans-configuration has been rationalized.
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Держатели документа:
Siberian Fed Univ, Dept Chem, Krasnoyarsk 660041, Russia
SB RAS, Kirensky Inst Phys, Lab Crystal Phys, Krasnoyarsk 660036, Russia
SB RAS, Inst Chem & Chem Technol, Lab Catalyt Convers Small Mol, Krasnoyarsk 660036, Russia
SB RAS, Irkutsk Favorsky Inst Chem, Phys Chem Lab, Irkutsk 664033, Russia
Inst Semicond Phys, Lab Opt Mat & Struct, Novosibirsk 630090, Russia
Tomsk State Univ, Funct Elect Lab, Tomsk 634050, Russia
Novosibirsk State Univ, Lab Semicond & Dielect Mat, Novosibirsk 630090, Russia
Доп.точки доступа:
Golovnev, N. N.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Vereshchagin, Sergey N.; Sterkhova, I. V.; Atuchin, V. V.; Ministry of Education and Science of the Russian Federation
}
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14.
The 5-(isopropylidene)-2-thiobarbituric acid:
Preparation, crystal structure, thermal stability and IR-characterization / N. N. Golovnev [et al.]> // J. Mol. Struct. - 2014. -
Vol. 1068
. - P. 216-221,
DOI
10.1016/j.molstruc.2014.04.024. - Cited References: 30. - V.V.A. is grateful to the Ministry of Education and Science of Russian Federation for the financial support of the investigation. . - ISSN 0022-2860. - ISSN 1872-8014
Перевод заглавия:
5-(изопропилиден)-2-тиобарбитуровая кислота: Синтез, кристаллическая структура, термическая стабильность и ИК характеризация
РУБ
Chemistry, Physical
Рубрики:
2-THIOBARBITURIC ACID
COMPLEXES
DERIVATIVES
Кл.слова (ненормированные):
5-(Isopropylidene)-2-thiobarbituric acid
--
Synthesis
--
Thiobarbituric acid
--
X-ray diffraction
--
Infrared
spectroscopy
--
Thermography
Аннотация:
5-(Isopropylidene)-2-thiobarbituric acid (1), C7H8N2O2S, has been crystallized by reacting 2-thiobarbituric acid with excessing acetone for 5–6 days under ambient conditions. The pale yellow crystals have been investigated using X-ray single crystal and powder techniques and characterized by differential scanning calorimetry, thermogravimetry and
infrared
spectroscopy. The compound crystallizes in the monoclinic system with a = 8.8268(19) Å, b = 12.044(3) Å, c = 8.0998(19) Å, β = 105.388(6)°, Z = 4, V = 830.2(3) Å3, space group P21/c. The geometric parameters of the heterocycle of the molecule 1 are similar to those found previously for the molecule of thionedicarbonyl tautomer in polymorphic modifications of 2-thiobarbituric acid.
Infrared
spectroscopy also evidences the thionedicarbonyl structure of the 1 heterocyclic ring. Intermolecular NH⋯O hydrogen bonds join the molecules in the chains along b axis. The 1 compound is thermally stable up to 230.0 °С and melts with decomposition at 261.4 °C. The results of mass spectrometric analysis are consistent with the structural parameters found by X-ray diffraction methods.
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Держатели документа:
Siberian Fed Univ, Krasnoyarsk 660041, Russia
Kirensky Inst Phys SB RAS, Krasnoyarsk 660036, Russia
Krasnoyarsk Sci Ctr SD RAS, Krasnoyarsk 660036, Russia
Russian Acad Sci, Inst Semicond Phys, Lab Opt Mat & Struct, Novosibirsk 630090, Russia
Tomsk State Univ, Funct Elect Lab, Tomsk 634050, Russia
Novosibirsk State Univ, Lab Semicond & Dielect Mat, Novosibirsk 630090, Russia
Доп.точки доступа:
Golovnev, N. N.; Головнёв, Николай Николаевич; Molokeev, M. S.; Молокеев, Максим Сергеевич; Tarasova, L. S.; Atuchin, V. V.; Vladimirova, N. I.
}
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15.
Tamm plasmon polariton-based
planar hot-electron photodetector for the near-
infrared
region / Yu. V. Konov, D. A. Pykhtin, R. G. Bikbaev, I. V. Timofeev> // Nanoscale. - 2024. -
Vol. 16
,
Is. 19
. - P. 9570-9575,
DOI
10.1039/D4NR00710G. - Cited References: 36 . - ISSN 2040-3364. - ISSN 2040-3372
Аннотация:
Light-trapping devices have always been a topic of intense interest among researchers. One such device that has gained attention is the hot-electron photodetector with a tunable detection wavelength. Photodetectors based on plasmon nanostructures that provide excitation of surface plasmon polaritons are challenging to manufacture. To address this issue, a planar hot-electron photodetector based on a Tamm plasmon polariton localized in a metal–semiconductor-multilayer mirror structure has been proposed in this study. The parameters and materials of the structure were adjusted to ensure perfect absorption at the resonance wavelength. As a result, the photoresponsivity of the proposed device can reach 42.6 mA W−1 at 905 nm. For the first time, the photosensitivity was calculated analytically by solving the dispersion law for the Tamm plasmon polariton.
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Держатели документа:
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, Russia
Siberian Federal University, Krasnoyarsk 660041, Russia
Доп.точки доступа:
Konov, Yu. V.; Конов, Юрий В.; Pykhtin, D. A.; Пыхтин, Дмитрий А.; Bikbaev, R. G.; Бикбаев, Рашид Гельмединович; Timofeev, I. V.; Тимофеев, Иван Владимирович
}
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16.
Synthesis, crystal structure,
and enhanced luminescence of garnet-type Ca3Ga2Ge3O12:Cr3+ by codoping Bi3+ / C. Y. Liu [et al.]> // J. Am. Ceram. Soc. - 2015. -
Vol. 98
,
Is. 6
. - P. 1870-1876,
DOI
10.1111/jace.13553. - Cited References:24. - This work was supported by the National Natural Science Foundations of China (grant nos. 51002146, 51272242), Natural Science Foundations of Beijing (2132050), the Program for New Century Excellent Talents in University of Ministry of Education of China (NCET-12-0950), Beijing Nova Program (Z131103000413047), Beijing Youth Excellent Talent Program (YETP0635), the Funds of the State Key Laboratory of New Ceramics and Fine Processing, Tsinghua University (KF201306) and Fundamental Research Funds for the Central Universities (FRF-TP-14-005A1). . - ISSN 0002. - ISSN 1551-2916
Перевод заглавия:
Синтез, кристаллическая структура и улучшенная люминесценция граната Ca3Ga2Ge3O12:Cr3+ содопированного Bi3+
РУБ
Materials Science, Ceramics
Рубрики:
LIGHT-EMITTING-DIODES
INFRARED
PERSISTENT LUMINESCENCE
ENERGY-TRANSFER
PHOSPHOR
RED
NANOPARTICLES
EFFICIENCY
Аннотация:
Garnet-type compound Ca3Ga2Ge3O12 and Cr3+-doped or Cr3+/Bi3+ codped Ca3Ga2Ge3O12 phosphors were prepared by a solid-state reaction. The crystal structure of Ca3Ga2Ge3O12 host was studied by X-ray diffraction (XRD) analysis and further determined by the Rietveld refinement. Near-
infrared
(NIR) photoluminescence (PL) and long-lasting phosphorescence (LLP) emission can be observed from the Cr3+-doped Ca3Ga2Ge3O12 sample, and the enhanced NIR PL emission intensity and LLP decay time can be realized in Cr3+/Bi3+ codped samples. The optimum concentration of Cr3+ in Ca3Ga2Ge3O12 phosphor was about 6 mol%, and optimum Bi3+ concentration induced the energy-transfer (ET) process between Bi3+ and Cr3+ ions was about 30 mol%. Under different excitation wavelength from 280 to 453 nm, all the samples exhibit a broadband emission peaking at 739 nm and the intensity of NIR emission increases owing to the ET behavior from Bi3+ to Cr3+ ions. The critical ET distance has been calculated by the concentration-quenching method. The thermally stable luminescence properties were also studied and the introduction of Bi3+ can also improve the thermal stability of the NIR emission.
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Держатели документа:
Univ Sci & Technol Beijing, Sch Mat Sci & Engn, Beijing 100083, Peoples R China.
China Univ Geosci, Sch Mat Sci & Technol, Beijing 100083, Peoples R China.
SB RAS, LV Kirensky Phys Inst, Lab Crystal Phys, Krasnoyarsk 660036, Russia.
Доп.точки доступа:
Liu, Chengyin; Xia, Zhiguo; Molokeev, M. S.; Молокеев, Максим Сергеевич; Liu, Quanlin
}
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17.
Synthesis and characterization
of nanoscale composite particles formed by 2D layers of Cu-Fe sulfide and Mg-based hydroxide / Y. L. Mikhlin, R. V. Borisov, S. A. Vorobyev [et al.]> // J. Mater. Chem. A. - 2022. -
Vol. 10
,
Is. 17
. - P. 9621-9634,
DOI
10.1039/d2ta00877g. - Cited References: 84. - This research was supported by the Russian Foundation for Basic Research, Krasnoyarsk Territory Administration and Krasnoyarsk Territory Science Foundation, project 20-43-242903. Facilities of the Krasnoyarsk Regional Center of Research Equipment of Federal Research Center “Krasnoyarsk Science Center SB RAS” were employed in the work . - ISSN 2050-7488
Перевод заглавия:
Синтез и исследование наноразмерных композитных частиц, образованных двумерными слоями сульфида Cu-Fe и гидроксида на основе Mg
Кл.слова (ненормированные):
Binary alloys
--
Copper compounds
--
Electron energy levels
--
Electron energy loss spectroscopy
--
Electron scattering
--
Light absorption
--
Light scattering
--
Magnesium compounds
--
Near
infrared
spectroscopy
--
Paramagnetism
--
Sols
--
Sulfur compounds
--
X-ray photoelectron spectroscopy
Аннотация:
We introduce here a multifunctional material composed of alternating atomic sulfide sheets close to the composition of CuFeS2 and Mg-based hydroxide ones (valleriite), which are assembled due to their electric charges of opposite sign. Valleriite particles 50-200 nm in lateral size and 10-20 nm in thickness were synthesized via a simple hydrothermal pathway using various concentrations of precursors and dopants, and examined with XRD, TEM, EDS, X-ray photoelectron spectroscopy, reflection electron energy loss spectroscopy (REELS), Mossbauer, Raman and UV-vis-NIR spectroscopies, and magnetization, dynamic light scattering, and zeta potential measurements. The electronic, magnetic and optical characteristics are found to be critically dependent on the charge (electron density) at the narrow-gap sulfide layers containing Cu+ and Fe3+ cations, and can be tuned via the composition of the hydroxide part. Particularly, substitution of Mg2+ with Al3+ increases the negative charge of the hydroxide layers and reduces the content of Fe3+-OH centers (10-45% of total iron); the effects of Cr and Co dopants entering both layers are more complicated. Mossbauer doublets of paramagnetic Fe3+ detected at room temperature transform into several Zeeman sextets at 4.2 K; the hyperfine fields up to 500 kOe and complex magnetic behavior, but not pure paramagnetism or antiferromagnetism, were observed for valleriites with the higher positive charge of the sulfide sheets, probably due to the depopulation of the minority-spin 3d states of S-bonded Fe3+ ions. Aqueous colloids of valleriite show optical absorption at 500-750 nm, which, along with the peaks at the same energies in REELS, may arise due to quasi-static dielectric resonance involving the vacant Fe 3d band and being dependent on the composition of both layers too. These and other findings call attention to valleriites as a new rich family of 2D materials for a variety of potential applications.
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Держатели документа:
Institute of Chemistry and Chemical Technology, Krasnoyarsk Science Center of the Siberian Branch of the Russian Academy of sciences, Akademgorodok, 50/24, Krasnoyarsk, 660036, Russian Federation
Kirensky Institute of Physics, Krasnoyarsk Science Center of the Siberian Branch of the Russian Academy of sciences, Akademgorodok 50/38, Krasnoyarsk, 660036, Russian Federation
Siberian Federal University, Svobodny av. 79, Krasnoyarsk, 660041, Russian Federation
Federal Research Center “Krasnoyarsk Science Center of the Siberian Branch of the Russian Academy of sciences”, Akademgorodok, 50, Krasnoyarsk, 660036, Russian Federation
Доп.точки доступа:
Mikhlin, Y. L.; Borisov, R. V.; Vorobyev, S. A.; Tomashevich, Y. V.; Romanchenko, A. S.; Likhatski, M. N.; Karacharov, A. A.; Bayukov, O. A.; Баюков, Олег Артемьевич; Knyazev, Yu. V.; Князев, Юрий Владимирович; Velikanov, D. A.; Великанов, Дмитрий Анатольевич; Zharkov, S. M.; Жарков, Сергей Михайлович; Krylov, A. S.; Крылов, Александр Сергеевич; Krylova, S. N.; Крылова, Светлана Николаевна; Nemtsev, I. V.; Немцев, Иван Васильевич
}
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18.
Structural, electronic and
vibrational properties of YAl3(BO3)4 / A. S. Oreshonkov, E. M. Roginskii, N. P. Shestakov [et al.]> // Materials. - 2020. -
Vol. 13
,
Is. 3
. - Ст. 545,
DOI
10.3390/ma13030545. - Cited References: 72. - This research was funded by Russian Foundation for Basic Research (18-03-00750, 18-05-00682 and 18-32-20011). - The computations were performed using the facilities of the Computational Center of the Research Park of St. Petersburg State University. We are grateful to the Center of collective use of FRC KSC SB RAS for the provided equipment namely Bruker Vertex 70V, Emitech K575XD, Hitachi TM3000 and Bruker Smart ApexII. Some parts of the experiments were performed in the multiple-access center “High-Resolution Spectroscopy of Gases and Condensed Matter” in IA&E SBRAS (Novosibirsk, Russia). The experimental part corresponding to Raman measurements was supported by the Ministry of Education and Science of the Russian Federation, grant no AAAA-A17-117052410033-9. The authors thank A.M. Sysoev and V.M. Sventitsky for assistance with sample orientation . - ISSN 1996-1944
Перевод заглавия:
Структурные, электронные и колебательные свойства YAl3(BO3)4
Кл.слова (ненормированные):
YAl3(BO3)4
--
huntite-like structure
--
rare-earth alumoborates
--
infrared
spectra
--
monoclinic domains
Аннотация:
The crystal structure of YAl3(BO3)4 is obtained by Rietveld refinement analysis in the present study. The dynamical properties are studied both theoretically and experimentally. The experimental Raman and
Infrared
spectra are interpreted using the results of ab initio calculations within density functional theory. The phonon band gap in the
Infrared
spectrum is observed in both trigonal and hypothetical monoclinic structures of YAl3(BO3)4. The electronic band structure is studied theoretically, and the value of the band gap is obtained. It was found that the YAl3(BO3)4 is an indirect band gap dielectric material.
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Держатели документа:
Laboratory of Molecular Spectroscopy, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk 660036, Russia
School of Engineering and Construction, Siberian Federal University, Krasnoyarsk 660041, Russia
Laboratory of Spectroscopy of Solid State, Ioffe Institute, St. Petersburg 194021, Russia
Laboratory of Radiospectroscopy and Spintronics, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk 660036, Russia
Federal Research Center KSC SB RAS, Krasnoyarsk 660036, Russia
Laboratory of Crystal Physics, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk 660036, Russia
School of Engineering Physics and Radio Electronics, Siberian Federal University, Krasnoyarsk 660041, Russia
Institute of Automation and Electrometry, Russian Academy of Sciences, Novosibirsk 630090, Russia
Department of Inorganic and Physical Chemistry, Tyumen State University, Tyumen 625003, Russia
Department of General and Special Chemistry, Industrial University of Tyumen, Tyumen 625000, Russia
Доп.точки доступа:
Oreshonkov, A. S.; Орешонков, Александр Сергеевич; Roginskii, E. M.; Shestakov, N. P.; Шестаков, Николай Петрович; Gudim, I. A.; Гудим, Ирина Анатольевна; Temerov, V. L.; Темеров, Владислав Леонидович; Nemtsev, I. V.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Adichtchev, S. V.; Pugachev, A. M.; Denisenko, Yu. G.
}
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19.
Structural and spectroscopic
properties of new noncentrosymmetric self-activated borate Rb3EuB6O12 with B5O10 units / V. V. Atuchin [et al.]> // Mater. Des. - 2018. -
Vol. 140
. - P. 488-494,
DOI
10.1016/j.matdes.2017.12.004. - Cited References: 53. - We are grateful to Guochun Zhang for the crystal structure materials on K3YB6O12 and O. Tsydenova, A. Sarapulova for the consultations. The work was supported by Projects № 0356-2015-0412 of SB RAS Program № II.2P and № 0339-2016-0007. The reported study was funded by RFBR according to research projects 16-52-48010, 17-02-00920, 17-03-00886 and 17-52-53031 and RSF project 14-22-00143. The work was supported by Act 211 Government of the Russian Federation, contract № 02.A03.21.0011, and by the Ministry of Education and Science of the Russian Federation (5.5523.2017/8.9). This research was supported by Grant no. 8.2.01.2017 of Tomsk State University Academic D.I. Mendeleev Fund Program. . - ISSN 0264-1275
Перевод заглавия:
Структурные и спектроскопические характеристики самоактивированного бората Rb3EuB6O12 со структурными единицами B5O10
Кл.слова (ненормированные):
Rubidium rare earth borate
--
Solid state reaction
--
Rietveld refinement
--
Raman
--
Infrared
spectroscopy
--
Luminescence
Аннотация:
New noncentrosymmetric double borate Rb3EuB6O12 was designed and synthesized by the solid state reaction method, and its crystallographic parameters were obtained by Rietveld analysis. This borate crystallizes in the trigonal space group R32 with cell parameters a = 13.4604(2) Å, c = 30.7981(5) Å, Z = 15. Its structure features a three-dimensional framework composed of the [B5O10]5 − groups that are bridged by Eu-O polyhedra. The existence of B5O10 group in the structure was confirmed by vibrational spectroscopy. Rb3EuB6O12 melts incongruently at 1101 K. The second harmonic generation effect of Rb3EuB6O12 is 16 times higher than that of the α-quartz standard. In the luminescence spectrum, the domination of a single prominent narrow line from the hypersensitive 5D0 - 7F2 manifold of Eu3 + ions is observed, while the 5D0 - 7F1 manifold and ultranarrow 5D0 - 7F0 line are of comparable peak intensity. These features are explained by a specific local symmetry of the Eu3+ ion within the crystal structure of Rb3EuB6O12.
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Держатели документа:
Laboratory of Optical Materials and Structures, Institute of Semiconductor Physics, SB RAS, Novosibirsk, Russian Federation
Functional Electronics Laboratory, Tomsk State University, Tomsk, Russian Federation
Laboratory of Single Crystal Growth, South Ural State University, Chelyabinsk, Russian Federation
Baikal Institute of Nature Management, SB RAS, Ulan-Ude, Russian Federation
Buryat State University, Ulan-Ude, Russian Federation
Laboratory of Coherent Optics, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, Russian Federation
Institute of Nanotechnology, Spectroscopy and Quantum Chemistry, Siberian Federal University, Krasnoyarsk, Russian Federation
Laboratory of Nanodiagnostics and Nanolithography, Institute of Semiconductor Physics, SB RAS, Novosibirsk, Russian Federation
Laboratory of Molecular Spectroscopy, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, Russian Federation
Laboratory of Crystal Physics, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, Russian Federation
Department of Physics, Far Eastern State Transport University, Khabarovsk, Russian Federation
Siberian Federal University, Krasnoyarsk, Russian Federation
Department of Photonics and Laser Technologies, Siberian Federal University, Krasnoyarsk, Russian Federation
Department of Chemistry, Lomonosov Moscow State University, Moscow, Russian Federation
Доп.точки доступа:
Atuchin, V. V.; Subanakov, A. K.; Aleksandrovsky, A. S.; Александровский, Александр Сергеевич; Bazarov, B. G.; Bazarova, J. G.; Gavrilova, T. A.; Krylov, A. S.; Крылов, Александр Сергеевич; Molokeev, M. S.; Молокеев, Максим Сергеевич; Oreshonkov, A. S.; Орешонков, Александр Сергеевич; Stefanovich, S. Y.
}
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20.
Solid state synthesis,
structural, DFT and spectroscopic analysis of EuAl3(BO3)4 / A. S. Oreshonkov, A. S. Aleksandrovsky, O. D. Chimitova [et al.]> // Mater. Chem. Phys. - 2024. -
Vol. 320
. - Ст. 129400,
DOI
10.1016/j.matchemphys.2024.129400. - Cited References: 55. - The work was carried out within the state assignment No FWES-2024-0003 of Kirensky Institute of Physics. This work was partially supported by the state order of BINM SB RAS (0273-2021-0008). The samples for this research were synthesized using equipment of the CCU BINM SB RAS. The reflectance spectrum was obtained at the Center for Optical and Laser Materials Research of Research park of St. Petersburg State University. The SEM measurements were performed at Krasnoyarsk Regional Center of Research Equipment of Federal Research Center "Krasnoyarsk Science Center SB RAS" . - ISSN 0254-0584. - ISSN 1879-3312
Перевод заглавия:
Твердофазный синтез, структурный, квантово-химический (DFT) и спектроскопический анализ EuAl3(BO3)4
Кл.слова (ненормированные):
EuAl(BO)
--
Huntite
--
X-ray diffraction
--
SEM
--
DFT
--
Charge transfer
--
Raman
--
Infrared
--
Luminescence
Аннотация:
Huntite-like borates are versatile and promising materials with wide range of applications in frequency conversion, UV light generation, lighting, displays, quantum information storage, and more, demonstrated by their various properties and uses in scientific research. In this work, EuAl3(BO3)4 powder was prepared through multi-stage solid-state reaction method using high-purity starting reagents: Eu2O3, Al2O3 and H3BO3, considering a 20 wt% excess of H3BO3 to compensate for B2O3 volatilization. Obtained samples undergo several treatments at varying temperatures and their phase purity is subsequently verified through powder X-ray diffraction analysis. The scanning electron microscopy reveals that resulting EuAl3(BO3)4 powder consists of granules exhibiting irregular morphologies with dimensions of 0.5–8 μm. The electronic band structure of EuAl3(BO3)4, calculated using the GGA PBE method, reveals f-states of Eu near 4 eV. These states do not produce emphasized peaks on simulated absorbance spectra. Using of DFT + U for the f-states of Eu pushed up f-bands above 6 eV and the charge transfer from p-O to d-Eu was obtained (Egdirect = 5.63 eV, Egindirect = 5.37 eV using Ueff = 4 eV). The variation of Ueff has a weak influence on the position of the bottom of the conduction band. The experimental bandgaps of EuAl3(BO3)4 crystalline powder, both direct and indirect, are found to be 3.96 and 3.67 eV, correspondingly. These values are lower than theoretical values what is associated with limitations of DFT calculations involving f electrons. The Raman spectrum of EuAl3(BO3)4 powder is discussed, detailing the contributions of different ions to specific spectral bands. Investigation of high-resolution luminescence spectra shows the possibility to estimate the content of defects by the testing the violation of the prohibition of ultranarrow 5D0 → 7F0 line that is forbidden in the ideal crystalline structure of trigonal EuAl3(BO3)4.
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Держатели документа:
Laboratory of Molecular Spectroscopy, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russia
School of Engineering and Construction, Siberian Federal University, Krasnoyarsk, 660041, Russia
Laboratory of Coherent Optics, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russia
Institute of Nanotechnology, Spectroscopy and Quantum Chemistry, Siberian Federal University, Krasnoyarsk, 660041, Russia
Laboratory of Oxide Systems, Baikal Institute of Nature Management, SB RAS, Ulan-Ude, 670047, Russia
Center for Optical and Laser Materials Research, Saint-Petersburg State University, Saint-Petersburg, 199034, Russia
Emanuel Institute of Biochemical Physics of Russian Academy of Sciences, Moscow, 119334, Russia
Plekhanov Russian University of Economics, Moscow, 117997, Russia
Moscow Institute of Physics and Technology, Dolgoprudny, 141700, Russia
Laboratory of Crystal Physics, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russia
School of Engineering Physics and Radio Electronics, Siberian Federal University, Krasnoyarsk, 660041, Russia
Institute of Automation and Electrometry, Russian Academy of Sciences, Novosibirsk, 630090, Russia
Department of Molecular Electronics, Federal Research Center Krasnoyarsk Science Center of the Siberian Branch of the Russian Academy of Sciences, Krasnoyarsk, 660036, Russia
Institute of Fundamental Biology and Biotechnology, Siberian Federal University, Krasnoyarsk, 660041, Russia
Доп.точки доступа:
Oreshonkov, A. S.; Орешонков, Александр Сергеевич; Aleksandrovsky, A. S.; Александровский, Александр Сергеевич; Chimitova, O.D.; Pankin, D.V.; Popov, Z.I.; Sukhanova, E.V.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Adichtchev, S.V.; Pugachev, A.M.; Nemtsev, I. V.; Немцев, Иван Васильевич
}
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