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Многоминимумность потенциала кристаллического поля в координационных материалах / В. В. Шаповалов, В. А. Шаповалов, В. И. Вальков [и др.] // Физ. техн. выс. давл. - 2022. - Т. 32, № 2. - С. 52-66. - Библиогр.: 30
. - ISSN 0868-5924
Перевод заглавия: Multi-minimum potential of crystal field in coordination materials
Кл.слова (ненормированные):
электронный парамагнитный резонанс -- монокристалл шпинели -- элементарная ячейка кристаллической решетки -- структурно-неэквивалентные положения ионов -- electron paramagnetic resonance -- single-crystal spinel -- lattice unit cell -- structurally non-equivalent positions of ions
Аннотация: Форма многоминимумного потенциала электрического кристаллического поля в нанокомплексе с магнитным ионом формируется ближайшим окружением иона и имеет несколько эквивалентных минимумов, которые соответствуют кристаллографическим осям комплекса. Для описания спектров электронного парамагнитного резонанса (ЭПР) магнитных ионов используется модель кристаллического поля и формализм спинового гамильтониана. Метод спинового гамильтониана позволяет описать спектр электронного парамагнитного резонанса. Задача теории - получение констант на основе определенной модели кристалла. Задача эксперимента - определение этих констант из вида спектра.
The form of a multi-minimum potential of the electrical crystal field in a nanocomplex with a magnetic ion is formed by the nearest environment of the ion and characterized by several equivalent minima that are associated with crystallographic axes of the complex. To describe the spectra of electron paramagnetic resonance of magnetic ions (EPR), the model of crystal and the formalism of spin Hamiltonian is used. The method of spin Hamiltonian allows description of the spectrum of electron paramagnetic resonance. The theory is aimed to calculation of the constants within the frameworks of the determined model of the crystal. The experiment goal is evaluation of these constants on the basis of the spectrum shape.
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Держатели документа:
Организация «Математика для Америки», Нью Йорк, США
Донецкий физико-технический институт им. А.А. Галкина, Донецк, Украина
Институт физики им. Л.В. Киренского РАН, Красноярск, Россия
Институт радиотехники и электроники им. В.А. Котельникова РАН, Москва, Россия
Доп.точки доступа:
Шаповалов, В. В.; Шаповалов, В. А.; Вальков, В. И.; Службин, Ю. А.; Дрокина, Тамара Васильевна; Drokina, T. V.; Воротынов, Александр Михайлович; Vorotynov, A. M.; Шавров, В. Г.
}
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| 2.
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Vasiliev, A. D.
Crystal structure of hexakis(thiourea)-bis((μ-perchlorato-O,O')- (perchlorato-O)-bismuth) diperchlorate / A. D. Vasiliev, N. N. Golovnev // Russ. J. Coordin. Chem. - 2013. - Vol. 39, Is. 2. - P. 161-164, DOI 10.1134/S1070328413020097
. - ISSN 1070-3284
Кл.слова (ненормированные):
Crystallographic data -- Hydrogen atoms -- Hydrogen bond networks -- IR and Raman spectroscopy -- Space Groups -- Sulfur atoms -- Atoms -- Complex networks -- Hydrogen bonds -- Raman spectroscopy -- Single crystals -- X ray diffraction -- Thioureas
Аннотация: The complex[Bi2(Tu)6(ClO4) 4](ClO4)2 (I) (Tu is thiourea) was synthesized and studied by X-ray diffraction. The crystallographic data of I are: a = 14.205(1) A, b = 13.083(1) A, c = 22.078(2) A, ? = 96.182(1), V = 4079.1(7) A3, space group C2/c, Z = 4. The molecule is located on a twofold axis and consists of the binuclear cation [Bi2(Tu)6(ClO4)4]2+ and two outer-sphere anions Cl 4 -. The Bi-S bond lengths are 2.61-2.62 A. For each terminal and bridging ClO 4 - ion, one Bi-O distance varies from 2.744 to 3.048 3.269 structure contains a hydrogen bond network involving all hydrogen atoms. The IR and Raman spectroscopy data confirm the thiourea coordination by the sulfur atom. В© 2013 Pleiades Publishing, Ltd.
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Публикация на русском языке Васильев, Александр Дмитриевич. Кристаллическая структура диперхлората гексакис(тиомоче-вина)-бис((μ-перхлорато-О,О′)-(перхлрато-О)-висмута) [Текст] / А. Д. Васильев, Н. Н. Головнёв // Координ. химия. - 2013. - Т. 39 № 2. - С. 71-74
Держатели документа:
Russian Acad Sci, Siberian Branch, Kirenskii Inst Phys, Krasnoyarsk 660036, Russia
Siberian Fed Univ, Krasnoyarsk, Russia
Доп.точки доступа:
Golovnev, N. N.; Головнёв, Николай Николаевич; Васильев, Александр Дмитриевич
}
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| 3.
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Val'kov, V. V.
Effect of interstitial Coulomb interaction on the occurrence of a gapless superconducting phase of Hubbard fermions on a triangular lattice / V. V. Val’kov, T. A. Val’kova, V. A. Mitskan // Bull. Russ. Acad. Sci. Phys. - 2016. - Vol. 80, Is. 6. - P. 612-615, DOI 10.3103/S1062873816060393. - Cited References: 10
. - ISSN 1062-8738
Кл.слова (ненормированные):
Physics -- Concentration dependence -- Coordination sphere -- Hubbard -- Nodal points -- Quantum transitions -- Superconducting order parameters -- Superconducting phase -- Triangular lattice -- Coulomb interactions
Аннотация: The concentration dependence of the position of nodal points of a superconducting order parameter is investigated using the t–J–V model for a triangular lattice with regard to the exchange and Coulomb interactions in two coordination spheres. The conditions for a topological quantum transition are established. © 2016, Allerton Press, Inc.
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Публикация на русском языке Вальков, Валерий Владимирович. Влияние межузельного кулоновского взаимодействия на реализацию бесщелевой сверхпроводящей фазы фермионов хаббарда на треугольной решетке [Текст] / В. В. Вальков, Т. А. Валькова, В. А. Мицкан // Изв. РАН. Сер. физич. - 2016. - Т. 80 № 6. - С. 679-682
Держатели документа:
Kirensky Institute of Physics, Siberian Branch, Russian Academy of Sciences, Krasnoyarsk, Russian Federation
Siberian Federal University, Krasnoyarsk, Russian Federation
Siberian State Aerospace University, Krasnoyarsk, Russian Federation
Доп.точки доступа:
Val’kova, T. A.; Валькова, Татьяна Александровна; Mitskan, V. A.; Мицкан, Виталий Александрович; Вальков, Валерий Владимирович
}
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| 4.
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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.
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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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| 5.
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Tuning of the coordination and emission properties of 4-amino-2,1,3-benzothiadiazole by introduction of diphenylphosphine group / T. S. Sukhikh, R. M. Khisamov, D. A. Bashirov [et al.] // Cryst. Growth Des. - 2020. - Vol. 20, Is. 9. - P. 5796-5807, DOI 10.1021/acs.cgd.0c00406. - Cited References: 58. - This work is supported by the Russian Science Foundation (project no. 19-73-00030) and partly by RFBR (viz., powder XRD data processing and determination of the structure of 1. CINF7/INFHINF8/INF using powder XRD) according to the research project no. 19-52-80003. We acknowledge the European Synchrotron Radiation Facility for provision of synchrotron radiation facilities and thank Prof. Andrew N. Fitch. We are grateful to Siberian Supercomputer Centre of Institute of Computational Mathematics and Mathematical Geophysics for computational capability and thank the technical staff of the Institute for the assistance
. - ISSN 1528-7483. - ISSN 1528-7505
Перевод заглавия: Настройка координационных и эмиссионных свойств 4-амино-2,1,3-бензотиадиазола путем введения дифенилфосфиновой группыРУБ Chemistry, Multidisciplinary + Crystallography + Materials Science, Multidisciplinary
Рубрики:
COMPLEXES
BENZOTHIADIAZOLE
CHEMISTRY
SUBSTITUENTS
LIGANDS
PROGRAM
Аннотация: A novel amino-benzothiadiazole bearing diphenylphosphine groups (L) was designed and synthesized. A number of its coordination compounds of Cu(I) (1·0.75C7H8, 2a,b), Pd(II) (4), and Pt(II) (5) were prepared demonstrating the coordination of L ligand via N and/or P atoms. The reaction with strong Lewis acid Zn(II) resulted in the rearrangement of P—N—P to P–P–N moiety and formation of complex 3. The structures of L, 2–5 were determined by single crystal X-ray (XRD) diffraction, while that of 1·0.75C7H8 was determined by powder XRD analysis. Intermolecular secondary bonding of S···S interactions in the compounds, unusual for benzothiadiazoles, was discussed supported by quantum chemical calculations. Differences in the structures of the compounds cause significant changes of photophysical properties. In particular, the position of the electronic absorption band is featured by the conformation of L, viz., the dihedral angle between the benzothiadiazole unit and the P—N—P moiety, as proved by TD-DFT calculations performed on model molecules. The photophysical properties of the compounds also strongly depend on the coordination mode of L: the presence of a bond between the metal and the N atom of the thiadiazole unit plays an essential role in defining the position of the absorption and emission bands as well as emission lifetime of these compounds. The thermally activated delayed fluorescence and phosphorescence mechanisms in a thermal equilibrium were determined for 1·0.75C7H8. Complex 5 features a broad emission band spanning the entire visible region; moreover, it shows an unusual clear-white luminescence, which remains visible even in the daylight.
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Держатели документа:
Russian Acad Sci, Nikolaev Inst Inorgan Chem, Siberian Branch, Novosibirsk 630090, Russia.
Russian Acad Sci, Kirensky Inst Phys, Siberian Branch, Krasnoyarsk 660036, Russia.
Novosibirsk State Univ, Natl Res Univ, Dept Nat Sci, Novosibirsk 630090, Russia.
Shihexi Univ, Dept Chem, Shihezi 832000, Xinjiang, Peoples R China.
Доп.точки доступа:
Sukhikh, Taisiya S.; Khisamov, Radmir M.; Bashirov, D. A.; Komarov, Vladislav Yu; Molokeev, M. S.; Молокеев, Максим Сергеевич; Ryadun, Alexey A.; Benassi, E.; Konchenko, Sergey N.; Russian Science FoundationRussian Science Foundation (RSF) [19-73-00030]; RFBRRussian Foundation for Basic Research (RFBR) [19-52-80003]
}
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| 6.
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Temperature and Eu2+-doping induced phase selection in NaAlSiO4 polymorphs and the controlled yellow/blue emission / M. Zhao [et al.] // Chem. Mater. - 2017. - Vol. 29, Is. 15. - P. 6552-6559, DOI 10.1021/acs.chemmater.7b02548. - Cited References: 48. - The present work was supported by the National Natural Science Foundation of China (Grants 91622125 and 51572023 and 11574003), Natural Science Foundations of Beijing (2172036), and Fundamental Research Funds for the Central Universities (FRF-TP-16-002A3). L.N. acknowledges the support from the Special and Excellent Research Fund of Anhui Normal University.
. - ISSN 0897-4756
Перевод заглавия: Фазовый переход индуцированный температурой и допированием Eu2+ в NaAlSiO4, и контролируемое излучение желтого/голубого света
Кл.слова (ненормированные):
Chemical modification -- Coordination reactions -- Europium -- Light emitting diodes -- Photoluminescence -- Functional properties -- High color rendering index -- Local coordination structures -- Near ultraviolet excitations -- Structural transformation -- Synthesis temperatures -- Temperature dependent -- White light emitting diodes -- Density functional theory
Аннотация: The union of temperature-dependent phase transition and relating structural transformation via modification of chemical compositions is of fundamental importance for the discovery of new materials or their functional properties optimization. Herein, the synthesis temperature and Eu2+-doping content induced phase selection and variations of the local structures in nepheline, low-carnegieite and high-carnegieite types of NaAlSiO4 polymorphs were studied in detail. The luminescence of Eu2+ in low-carnegieite and nepheline phases shows blue (460 nm) and yellow (540 nm) broad-band emissions, respectively, under near-ultraviolet excitation. The photoluminescence evolution can be triggered by the different synthesis temperatures in relation to the Eu2+-doping concentration, as corroborated by density functional theory calculations on the local coordination structures and corresponding mechanical stabilities in terms of the Debye temperature. The fabricated white light-emitting diode device with high color rendering index demonstrates that the multicolor phosphors from one system provides a new gateway for the photoluminescence tuning. © 2017 American Chemical Society.
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Держатели документа:
Beijing Municipal Key Laboratory of New Energy Materials and Technologies, School of Materials Sciences and Engineering, University of Science and Technology Beijing, Beijing, China
Laboratory of Crystal Physics, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, Russian Federation
Siberian Federal University, Krasnoyarsk, Russian Federation
Department of Physics, Far Eastern State Transport University, Khabarovsk, Russian Federation
Anhui Key Laboratory of Optoelectronic Materials Science and Technology, Department of Physics, Anhui Normal University, Wuhu, Anhui, China
Доп.точки доступа:
Zhao, M.; Xia, Z.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Ning, L.; Liu, Q.
}
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Synthesis and thermal transformation of a neodymium(III) complex [Nd(HTBA)2(C2H3O2)(H2O)2]·2H2O to non-centrosymmetric oxosulfate Nd2O2SO4 / N. N. Golovnev [et al.] // J. Coord. Chem. - 2015. - Vol. 68, Is. 11. - P. 1865-1877, DOI 10.1080/00958972.2015.1031119. - Cited References:59. - The study was carried out within the public task of the Ministry of Education and Science of the Russian Federation for research engineering at the Siberian Federal University in 2014. V.V.A. is grateful to the Ministry of Education and Science of the Russian Federation for the financial support of this investigation. - Cover image: Artwork representing main idea of this article
. - ISSN 0095. - ISSN 1029-0389
Перевод заглавия: Синтез и термическое разложение комплекса неодима(III) [Nd(HTBA)2(C2H3O2)(H2O)2]·2H2O до нецентросимметричного оксосульфата Nd2O2SO4РУБ Chemistry, Inorganic & Nuclear
Рубрики:
THIOBARBITURIC ACID COMPLEXES
TRANSITION-METAL-COMPLEXES
Кл.слова (ненормированные):
Neodymium -- 2-Thiobarbituric acid -- Crystal structure -- Thermal -- decomposition -- IR spectroscopy
Аннотация: Neodymium complex [Nd(HTBA)2(C2H3O2)(H2O)2]n·2nH2O (1) (H2TBA = 2-thiobarbituric acid, C4H4N2O2S) has been synthesized in an aqueous solution at 80–90 °C. The crystal structure of 1 has been determined by the Rietveld method in space group P21/n, a = 8.5939(2), b = 22.9953(5), c = 10.1832(2) Å, β = 112.838(1)°, Z = 4, and R = 0.0181. In 1, the Nd(III) is coordinated by four μ2-HTBA– ions through O, three oxygens from two μ2-η2 : η1-bridging CH3COO– anions, and two terminal waters with a tri-capped trigonal prism structure. The prisms form an edge-contact pair through two O from two acetates. The pairs are connected by HTBA– and form a 3-D framework. The principle product of thermal decomposition of 1 at >750 °C is Nd2O2SO4 (2). The crystal structure of 2 has been obtained in space group I222, a = 4.1199(4), b = 4.2233(4), c = 13.3490(12) Å, Z = 2, and R = 0.0246. The structure is related to an orthorhombic structure type of M2O2SO4 (M = Ln) compounds. In 2, the Nd3+ is coordinated by six oxygens in a trigonal prism. Each NdO6 prism links with two SO4 tetrahedra by nodes, with four other NdO6 prisms by edges, and with four other NdO6 prisms by nodes, and the units form the 3-D frame. In the frame, the layers of SO4 tetrahedra are alternated by two NdO6 prism layers.
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Держатели документа:
Siberian Fed Univ, Dept Chem, Krasnoyarsk, Russia
SB RAS, Kirensky Inst Phys, Lab Crystal Phys, Krasnoyarsk, Russia
Far Eastern State Transport Univ, Dept Phys, Khabarovsk, Russia
SB RAS, Inst Chem & Chem Technol, Lab Catalyt Convers Small Mol, Krasnoyarsk, Russia
SB RAS, Inst Semicond Phys, Lab Opt Mat & Struct, Novosibirsk, 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, S. N.; Atuchin, V. V.; Ministry of Education and Science of the Russian Federation
}
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| 8.
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Structure of tetrakis((1,3-diethyl-2-thiobarbiturato)(butanol-1))dicobalt(II) / N. N. Golovnev [et al.] // Russ. J. Coord. Chem. - 2017. - Vol. 43, Is. 2. - P. 82-85, DOI 10.1134/S1070328417010031. - Cited References: 21. - This work was carried out at the Siberian Federal University in terms of the state task of the Ministry of Education and Science of the Russian Federation for 2014–2016 (project no. 3049).
. - ISSN 1070-3284
Кл.слова (ненормированные):
cobalt(II) -- 1,3-diethyl-2-thiobarbituric acid -- butanol-1 -- dimeric complex -- structure -- IR spectrum
Аннотация: The structure of the dimeric complex [Co2(BuOH)4(Detba)4] (I), where НDetba is 1,3-diethyl-2-thiobarbituric acid, and BuOH is butanol-1, is determined (CIF file CCDC 1475273), and its IR spectrum is studied. The crystals are monoclinic: a = 10.7185(5), b = 21.985(1), c = 12.7235(7) Å, β = 92.196(2)°, V = 2996.1(3) Å3, space group P21/c, Z = 2. The Co2+ ions in compound I are joined in pairs by bridging ligands μ2-Detba–−O,O'. In addition, each of them is linked through the O atoms to one terminal Detba–ion and two BuOH molecules to form a trigonal bipyramid СоО5. Hydrogen bonds O–H···O formed by BuOH and Detba– join the binuclear complexes into an infinite chain. The data of IR spectroscopy are consistent with the results of X-ray diffraction analysis.
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Публикация на русском языке Структура тетракис((1,3-диэтил-2-тиобарбитурато)-(бутанол-1))-дикобальта(II) [Текст] / Н. Н. Головнев [и др.] // Координ. химия : Наука, 2017. - Т. 43 № 2. - С. 81-84
Держатели документа:
Siberian Federal University, Krasnoyarsk, Russian Federation
Kirensky Institute of Physics, Siberian Branch, Russian Academy of Sciences, Akademgorodok, Krasnoyarsk, Russian Federation
Far East State Transport University, Khabarovsk, Russian Federation
Nikolaev Institute of Inorganic Chemistry, Siberian Branch, Russian Academy of Sciences, Novosibirsk, Russian Federation
Novosibirsk National Research State University, Novosibirsk, Russian Federation
Доп.точки доступа:
Golovnev, N. N.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Smolentsev, A. I.; Lesnikov, M. K.
}
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| 9.
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Structure of Barbituratobis(2,2'-Dipyridyl)copper(II) Heptahydrate / N. N. Golovnev [et al.] // Russ. J. Coord. Chem. - 2019. - Vol. 45, Is. 8. - P. 569-572, DOI 10.1134/S1070328419080037. - Cited References: 25. - This work was supported by the Ministry of Education and Science of the Russian Federation in the framework of the state task for the Siberian Federal University for 2017-2019 (4.7666.2017/BCh).
. - ISSN 1070-3284. - ISSN 1608-3318РУБ Chemistry, Inorganic & Nuclear
Рубрики:
IONIC CO-CRYSTALS
BARBITURIC-ACID
COMPLEXES
STATE
Кл.слова (ненормированные):
copper(II) -- barbituric acid -- 2,2 '-dipyridyl -- complex -- structure -- properties
Аннотация: The structure of the complex [Cu(Bipy)2(BA)] ∙ 7H2O (I), where Bipy is 2,2'-dipyridyl, and BA2– is the barbituric acid anion (H2BA), is determined (CIF file CCDC no. 1887338). The thermal decomposition and IR spectrum of complex I are studied. The crystals are orthorhombic: a = 26.118(3), b = 27.685(3), c = 15.683(2) Å, V = 11 370(2) Å3, space group Fdd2, Z = 16. The discrete structure of the polar crystal consists of neutral [Cu(Bipy)2(BA)] particles and molecules of crystallisation water . The Cu2+ ion is bound to the N atoms of two bidentate Bipy molecules and the N atom of the BA2− ion at the vertices of the trigonal bipyramid CuN5. Compound I is the first example of the metal complex only with the N-coordinated anions of barbituric acid (BA2−, НBA−). The structure is stabilized by hydrogen bonds O−H∙∙∙O and N−H∙∙∙O to form a three-dimensional network with the π–π interaction between the Bipy molecules. The compound begins to lose water at ~50°С and is completely dehydrated above 200°С.
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Публикация на русском языке Структура гаптагидрата барбитурато-бис-(2,2'-дипиридил)-меди(II) [Текст] / Н. Н. Головнев [и др.] // Координ. химия. - 2019. - Т. 45 № 8. - С. 481-484
Держатели документа:
Siberian Fed Univ, Krasnoyarsk, Russia.
Russian Acad Sci, Kirenskii Inst Phys, Siberian Branch, Krasnoyarsk, Russia.
Far East State Transport Univ, Khabarovsk, Russia.
Russian Acad Sci, Favorskii Inst Chem, Siberian Branch, Irkutsk, Russia.
Доп.точки доступа:
Golovnev, N. N.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Sterkhova, I. V.; Lesnikov, M. K.; Ministry of Education and Science of the Russian Federation [4.7666.2017/BCh]
}
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| 10.
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Structural and spectroscopic properties of self-activated monoclinic molybdate BaSm2(MoO4)4 / V. V. Atuchin [et al.] // J. Alloys Compd. - 2017. - Vol. 729. - P. 843-849, DOI 10.1016/j.jallcom.2017.07.259. - Cited References: 60. - This work was supported by the National Natural Science Foundation of China (U1632146). The reported study was funded by RFBR according to the research projects 16-52-48010, 16-32-00351, 17-02-00920 and 17-52-53031. Also, the work was supported by (Act 211) the Government of the Russian Federation, contract 02.A03.21.0011, by Project № 0356-2015-0412 of SB RAS Program№II. 2P, and by the Ministry of Education and Science of the Russian Federation (4.1346.2017/PP).
. - ISSN 0925-8388
Перевод заглавия: Структурные и спектроскопические свойства самоактивируемого моноклинного молибдата BaSm2(MoO4)4
Кл.слова (ненормированные):
Coordination -- Crystal structure -- Luminescence -- Raman -- SEM -- Synthesis
Аннотация: The crystal structure of new monoclinic molybdate BaSm2(MoO4)4 is refined in monoclinic unit cell C2/m with cell parameters a = 5.29448 Å, b = 12.7232 Å, c = 19.3907 Å, β = 91.2812°, V = 1305.89 Å3. The crystal structure consists of the SmO8 square antiprism joined with each other by the edges forming a 2D layer perpendicular to the c-axis. MoO4 tetrahedra join SmO8 by nodes and also participate in layer formation, and Ba ions are located between these layers. The lattice dynamics is theoretically calculated on the base of the crystal structure data. The Raman spectra are recorded and analyzed in comparison with theoretical calculations. The discrepancy between the experimental and calculated Raman frequencies does not exceed 2 cm−1 for the most of Raman lines. The luminescence spectra of Sm3+ ions, which are positioned in the lowest local symmetry site C1, strongly differ from those detected for another molybdate crystal, β-RbSm(MoO4)2, with the C2 local symmetry. The 4G5/2 → 6H9/2 band is dominating in the BaSm2(MoO4)4 luminescence.
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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
Laboratory of Coherent Optics, Kirensky Institute of Physics, Federal Research Center KSC, SB RAS, Krasnoyarsk, Russian Federation
Laboratory for Nonlinear Optics and Spectroscopy, Siberian Federal University, 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
Laboratory of Molecular Spectroscopy, Kirensky Institute of Physics, Federal Research Center, KSC SB RAS, Krasnoyarsk, Russian Federation
Department of Photonics and Laser Technologies, Siberian Federal University, Krasnoyarsk, Russian Federation
Electronic Materials Research Laboratory, Key Laboratory of the Ministry of Education & International Center for Dielectric Research, Xi'an Jiaotong University, Xi'an, Shaanxi, China
Materials Science and Engineering, University of Sheffield, Sheffield, United Kingdom
Доп.точки доступа:
Atuchin, V. V.; Aleksandrovsky, A. S.; Александровский, Александр Сергеевич; Molokeev, M. S.; Молокеев, Максим Сергеевич; Krylov, A. S.; Крылов, Александр Сергеевич; Oreshonkov, A. S.; Орешонков, Александр Сергеевич; Zhou, D.
}
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| 11.
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Novel AMoO4:Eu3+ (A = Ca and Ba) optical thermometer: Investigation of effect of local ionic coordination environment on optical performance and temperature measurement sensitivity / H. Gao, M. S. Molokeev, Q. Chen [et al.] // Ceram. Int. - 2023. - Vol. 49, Is. 16. - P. 26803-26810, DOI 10.1016/j.ceramint.2023.05.217. - Cited References: 52. - The work was supported by the program of Science and Technology International Cooperation Project of Qinghai province (No. 2022-HZ-807) and the National Natural Science Foundation of China (Grant No. 51802172), and was carried out within the framework of the Strategic Academic Leadership Program “Priority-2030′′ for the Siberian Federal University
. - ISSN 0272-8842. - ISSN 1873-3956
Перевод заглавия: Новый оптический термометр AMoO4:Eu3+ (A = Ca и Ba): исследование влияния локального ионного координационного окружения на оптические характеристики и чувствительность измерения температуры
Кл.слова (ненормированные):
Phosphor -- Optical thermometer -- Coordination environment -- Abnormal thermal quenching
Аннотация: A range of Eu3+-doped AMoO4 (A = Ca and Ba) phosphors were successfully synthetized, and their crystal structures, optical performance, and temperature measurement sensitivities were investigated in detail. Peak doping concentration of CaMoO4:Eu3+ phosphor was 0.18, while peak doping concentration of BaMoO4:Eu3+ phosphor may be greater than 0.18. Then, temperature-dependent photoluminescence emission spectra of representative CaMoO4:0.09Eu3+ and BaMoO4:0.03Eu3+ phosphors were recorded. CaMoO4:0.09Eu3+ phosphor exhibited abnormal thermal quenching, which was attributed to defects caused by heterovalent substitution of ions and increase in the temperature, and good thermal stability. Finally, the possibility of using both phosphors as optical thermometers was discussed, which exhibited good temperature sensitivity. However, CaMoO4:0.09Eu3+ phosphor exhibited two peak absolute (Sa, 1.28 %K−1 and 1.39 %K−1) and relative sensitivities (Sr, 1.21 %K−1 and 1.20 %K−1). In addition, variation trend of Sr value with temperature was considerably peculiar. Two optimum Sa and Sr values were attributed to abnormal thermal quenching of CaMoO4:0.09Eu3+ phosphor. Peak Sa and Sr values of BaMoO4:0.03Eu3+ phosphor was 12.39 %K−1 and 0.89 %K−1, respectively. In addition, Sa of AMoO4:Eu3+ phosphor was negatively related to Eu3+ central asymmetry, while peak Sr value was more inclined to appropriate ionic central asymmetry.
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Держатели документа:
School of Mechanical Engineering, Qinghai University, Xining, 810016, China
Laboratory of Crystal Physics, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russia
Siberian Federal University, Krasnoyarsk, 660041, Russia
Department of Physics, Far Eastern State Transport University, Khabarovsk, 680021, Russia
Beijing Key Laboratory of Materials Utilization of Nonmetallic Minerals and Solid Wastes, National Laboratory of Mineral Materials, School of Materials Science and Technology, China University of Geosciences (Beijing), Beijing, 100083, China
Доп.точки доступа:
Gao, Huabo; Molokeev, M. S.; Молокеев, Максим Сергеевич; Chen, Qi; Min, Xin; Ma, Bin
}
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| 12.
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Influence of alkyl substituents in 1,3-diethyl-2-thiobarbituric acid on the coordination environment in M(H2O)2(1,3-diethyl-2-thiobarbiturate)2 M = Ca2+, Sr2+ / N. N. Golovnev [et al.] // J. Coord. Chem. - 2016. - Vol. 69, Is. 6. - P. 957-965, DOI 10.1080/00958972.2016.1149168. - Cited References: 42. - The study was carried out within the public task of the Ministry of Education and Science of the Russian Federation for research engineering of the Siberian Federal University in 2015-2016. V.V.A. is grateful to the Ministry of Education and Science of the Russian Federation for the financial support of the investigation.
. - ISSN 0095-8972
Перевод заглавия: Влияние алкильных заместителей в 1,3-диэтил-2-2тиобарбитуровой кислоты на координационное окружение в M(H2O)2(1,3-диэтил-2-тиобарбутурат)2 M = Ca2+, Sr2+РУБ Chemistry, Inorganic & Nuclear
Рубрики:
CRYSTAL-STRUCTURE
2-THIOBARBITURIC ACID
STRUCTURAL-CHARACTERIZATION
THIOBARBITURIC ACID
THERMAL-PROPERTIES
HYDROGEN-BOND
COMPLEXES
DIFFRACTION
NETWORKS
POLYMERS
Кл.слова (ненормированные):
1,3-Diethyl-2-thiobarbituric acid -- alkaline earth metals -- coordination compound -- X-ray diffraction -- thermal analysis
Аннотация: Two new isostructural complexes, [Ca(H2O)2(μ2-Detba-O,O′)2]n (1) and [Sr(H2O)2(μ2-Detba-O,O′)2]n (2) (HDetba = 1,3-diethyl-2-thiobarbituric acid), were synthesized and characterized by single-crystal and powder X-ray diffraction analysis, TG-DSC, FT-IR, and emission spectroscopy. The single-crystal X-ray diffraction data revealed that 1 and 2 are polymeric where M2+ (M = Ca, Sr) is a six-coordinate octahedral binding four Detba− ions and two water molecules. The octahedra are linked through bridging Detba− ions forming a 2-D layer. Two intermolecular hydrogen bonds O–H…S in the crystal form a 3-D net. The comparison of M(Detba)2 and M(Htba)2 (H2tba = 2-thiobarbituric acid) structures showed that the coordination number of metals in M(Detba)2 does not exceed six and there are no π–π interactions, unlike compounds with Htba−; Detba− ions are only bridges in HDetba coordination compounds. Thermal decomposition of 1 and 2 includes dehydration, which mainly ends at 200 °C, and organic ligand oxidation at 300–350 °C with a release of CO2, SO2, H2O, NH3, and isocyanate. Upon excitation at 220 nm, 1 and 2 exhibit an intense emission maximum at 557 nm.
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Держатели документа:
Department of Chemistry, Siberian Federal University, Krasnoyarsk, Russian Federation
Laboratory of Crystal Physics, Kirensky Institute of Physics, Krasnoyarsk, Russian Federation
Department of Physics, Far Eastern State Transport University, Khabarovsk, Russian Federation
Laboratory of Optical Materials and Structures, Institute of Semiconductor Physics, Novosibirsk, Russian Federation
Functional Electronics Laboratory, Tomsk State University, Tomsk, Russian Federation
Laboratory of Semiconductor and Dielectric Materials, Novosibirsk State University, Novosibirsk, Russian Federation
Доп.точки доступа:
Golovnev, N. N.; Головнёв, Николай Николаевич; Molokeev, M. S.; Молокеев, Максим Сергеевич; Samoilo, A. S.; Atuchin, V. V.
}
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| 13.
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Hydrates [Na2(H2O)x](2-thiobarbiturate)2 (x = 3, 4, 5): crystal structure, spectroscopic and thermal properties / N. N. Golovnev [et al.] // J. Coord. Chem. - 2016. - Vol. 69, Is. 21. - P. 3219-3230, DOI 10.1080/00958972.2016.1228914. - Cited References:33. - This work was supported by the the Ministry of Education and Science of the Russian Federation for research engineering of the Siberian Federal University [grant number 3049].
. - ISSN 0095-8972. - ISSN 1029-0389
Перевод заглавия: Гидраты [Na2(H2O)x](2-thiobarbiturate)2 (x = 3, 4, 5): кристаллическая структура, спектроскопические и термические свойстваРУБ Chemistry, Inorganic & Nuclear
Рубрики:
2-THIOBARBITURIC ACID
COMPLEXES
1,3-DIETHYL-2-THIOBARBITURATE
TRANSFORMATION
CESIUM
Na
Li
Кл.слова (ненормированные):
2-Thiobarbituric acid -- Sodium -- coordination compound -- X-ray diffraction -- infrared spectroscopy -- thermal analysis
Аннотация: The hydrates [Na2(H2O)3(Htba)2] (1) and [Na2(H2O)4(Htba)2] (2), where H2tba is 2-thiobarbituric acid, were obtained under different thermal conditions from aqueous solutions and were structurally characterized. The molecular and supramolecular structures were compared to the known structure of [Na2(H2O)5(Htba)2] (3). In polymeric 1–3, the Htba− ions are linked to Na+ through O and S forming octahedra. The decrease of the number of coordination water molecules led to an increase of the total number of bridge ligands (μ2-H2O, Htba−) and a change of the Htba− coordination. These factors induced higher distortion of the octahedra. It was assumed that hydrates, with a different number of coordinated water molecules, are more probable when the central metal has weaker bonds with O water molecules and with other ligands. The net topologies of 1–3 were compared. Thermal decomposition and IR spectra were analyzed for 1 and 2.
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Держатели документа:
Siberian Fed Univ, Dept Chem, Krasnoyarsk, Russia.
Kirensky Inst Phys, Lab Crystal Phys, Krasnoyarsk, Russia.
Far Eastern State Transport Univ, Dept Phys, Khabarovsk, Russia.
Irkutsk Favorsky Inst Chem, Lab Phys Chem, Irkutsk, Russia.
Inst Semicond Phys, Lab Opt Mat & Struct, Novosibirsk, Russia.
Tomsk State Univ, Funct Elect Lab, Tomsk, Russia.
Novosibirsk State Univ, Lab Semicond & Dielect Mat, Novosibirsk, Russia.
Доп.точки доступа:
Golovnev, N. N.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Sterkhova, Irina V.; Atuchin, V. V.; Sidorenko, Maxim Y.; Ministry of Education and Science of the Russian Federation [3049]
}
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| 14.
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Golovnev, N. N.
The crystal structure of lead(II) 1,3-diethyl-2-thiobarbiturate / N. N. Golovnev, M. S. Molokeev, I. I. Golovneva // Russ. J. Coord. Chem. - 2015. - Vol. 41, Is. 5. - P. 300-304, DOI 10.1134/S1070328415050012. - Cited References:25
. - ISSN 1070. - ISSN 1608-3318. - РУБ Chemistry, Inorganic & Nuclear
Рубрики:
HYDROGEN-BOND
COMPLEXES
ACID
2-THIOBARBITURATE
DIFFRACTION
SERIES
Аннотация: The complex [Pb2(DETBA)4] n (I), where HDETBA is 1,3-diethyl-2-thiobarbituric acid (C8H12N2O2S), was obtained and structurally characterized by X-ray diffraction (CIF file CCDC no. 1031501). The crystals of complex I are trigonal: a = 12.9503(3), c = 32.077(1) Å, V = 4658.9(3) Å3, space group R3¯ , Z = 9. One of the crystallographically independent lead ions, Pb(1)2+, is coordinated in an octahedral fashion by six DETBA− ions through the O atoms. The other ion, Pb(2)2+, is coordinated to six DETBA− ions through three O atoms and three S atoms making up a trigonal prism. The polyhedra Pb(1)O6 and Pb(2)O6 are united through bridging DETBA− ions into infinite layers. The ligands are linked by neither intermolecular hydrogen bonds nor π-π interactions.
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Публикация на русском языке Головнёв, Николай Николаевич. Кристаллическая структура 1,3-диэтил-2-тиобарбитурата свинца(II) [Текст] / Н. Н. Головнёв, М. С. Молокеев, И. И. Головнева // Координ. химия : Наука, 2015. - Т. 41 № 5. - С. 266–270
Держатели документа:
Siberian Fed Univ, Krasnoyarsk, Russia.
Russian Acad Sci, Siberian Branch, Kirensky Inst Phys, Krasnoyarsk, Russia.
Far Eastern State Transport Univ, Khabarovsk, Russia.
State Agr Univ, Krasnoyarsk, Russia.
Доп.точки доступа:
Molokeev, M. S.; Молокеев, Максим Сергеевич; Golovneva, I. I.
}
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| 15.
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Golovnev, N. N.
Crystal structure of polymer hexaaqua-hexakis(2-thiobarbiturato)dieuropium(III) [Text] / N. N. Golovnev, M. S. Molokeev // Russ. J. Coord. Chem. - 2014. - Vol. 40, Is. 9. - P. 648-652, DOI 10.1134/S1070328414090036. - Cited References: 17. - This work was supported in the framework of the state program of the Ministry of Education and Science of the Russian Federation for research works of the Siberian Federal University in 2014.
. - ISSN 1070-3284. - ISSN 1608-3318РУБ Chemistry, Inorganic & Nuclear
Рубрики:
COMPLEXES
2-THIOBARBITURATE
Аннотация: Complex [Eu2(HTBA)6(H2O)6] n (I), where H2TBA is 2-thiobarbituric acid C4H4N2O2S, is synthesized. Its structure is determined by X-ray diffraction analysis (CIF file CCDC 987519). The crystals of complex I are monoclinic: a = 14.1033(4) Å, b = 10.0988(4) Å, c = 15.4061(5) Å, β = 110.003(1)°, V = 2061.9(1) Å3, space group P2/n, Z = 2. All three independent ligands HTBA− are coordinated to Eu3+ through oxygen atoms. Six HTBA− ions (two terminal and four bridging) and two water molecules are coordinated to one of the independent Eu3+ ions. The second Eu3+ ion is bound to four bridging HTBA− ions and four water molecules. The coordination polyhedra are square antiprisms. The bridging HTBA− ions join the antiprisms into layers. The structure is stabilized by numerous hydrogen bonds and the π-π interaction between HTBA−.
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Публикация на русском языке Головнёв, Николай Николаевич. Кристаллическая структура полимерного гексааква-гексакис(2-тиобарбитурато)-диевропия(III) [Текст] / Н. Н. Головнев, М. С. Молокеев // Координ. химия : Наука, 2014. - Т. 40 № 9. - С. 564-568
Держатели документа:
Siberian Fed Univ, Krasnoyarsk, Russia
Russian Acad Sci, Siberian Branch, Kirenskii Inst Phys, Krasnoyarsk 660036, Russia
Доп.точки доступа:
Molokeev, M. S.; Молокеев, Максим Сергеевич; Головнёв, Николай Николаевич; Ministry of Education and Science of the Russian Federation
}
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| 16.
|
First outer-sphere 1,3-diethyl-2-thiobarbituric compounds [M(H2O)6](1,3-diethyl-2-thiobarbiturate)2·2H2O (M = Co2+, Ni2+): Crystal structure, spectroscopic and thermal properties / N. N. Golovnev [et al.] // Chem. Phys. Lett. - 2016. - Vol. 653. - P. 54-59, DOI 10.1016/j.cplett.2016.04.059. - Cited References: 50. - The study was carried out within the public task of the Ministry of Education and Science of the Russian Federation for research engineering of the Siberian Federal University in 2015-2016. V.V. A. is grateful to the Ministry of Education and Science of the Russian Federation for the financial support of the investigation. X-ray data were obtained with use the analytical equipment of Krasnoyarsk Center of collective use of SB RAS.
. - ISSN 0009-2614
Перевод заглавия: Первые соединения с внешнесферным 1,3-диэтил-2-тиобарбитуратом [M(H2O)6](1,3-диэтил-2-2тиобарбитурат)2·2H2O (M=Co2+, Ni2+): кристаллическая структура, спектроскопия и тепловые свойстваРУБ Chemistry, Physical + Physics, Atomic, Molecular & Chemical
Рубрики:
Thiobarbituric acid complexes
Transition-metal-complexes; 2-thiobarbituric acid; hydrogen-bond
2-thiobarbituric acid
Hydrogen-bond
Chemistry
Transformation
Diffraction
Ligand
Series
Copper
Кл.слова (ненормированные):
1,3-Diethyl-2-thiobarbituric acid -- Nickel(II) -- Cobalt(II) -- Coordination compound -- X-ray diffraction -- Infrared spectroscopy -- Thermal analysis
Аннотация: Two new d-element compounds, [Co(H2O)6](Detba)2·2H2O (1) and [Ni(H2O)6](Detba)2·2H2O (2) (HDetba - 1,3-diethyl-2-thiobarbituric acid) were synthesized and characterized by single-crystal and powder X-ray diffraction analysis, TG-DSC and FT-IR. Structural analysis revealed that (1) and (2) are discrete structures, in which M2+ ion (M = Co, Ni) is six-coordinated by water molecules and it forms an octahedron. The outer-sphere Detba- ions and H2O molecules participate in O-H?(O/S) intermolecular hydrogen bonds which form the 2D layer. Thermal decomposition includes the stage of dehydration and the following stage of oxidation of Detba- with a release of CO2, SO2, H2O, NH3 and isocyanate gases. © 2016 Elsevier B.V. All rights reserved.
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Держатели документа:
Department of Chemistry, Siberian Federal University, 79 Svobodny Aven., Krasnoyarsk, Russian Federation
Laboratory of Crystal Physics, Kirensky Institute of Physics, SB RAS, bld. 38, Akademgorodok 50, Krasnoyarsk, Russian Federation
Department of Physics, Far Eastern State Transport University, 47 Seryshev Str., Khabarovsk, Russian Federation
Laboratory of Optical Materials and Structures, Institute of Semiconductor Physics, 13 Lavrentiev Aven., Novosibirsk, Russian Federation
Functional Electronics Laboratory, Tomsk State University, 36 Lenin Aven., Tomsk, Russian Federation
Laboratory of Semiconductor and Dielectric Materials, Novosibirsk State University, 2 Pirogov Str., Novosibirsk, Russian Federation
Доп.точки доступа:
Golovnev, N. N.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Lesnikov, M. K.; Atuchin, V. V.
}
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| 17.
|
First coordination compounds of SeBr2 with selenium-containing ligands: X-ray structural determination / E. V. Abramova [et al.] // Mendeleev Commun. - 2016. - Vol. 26, Is. 6. - P. 532-534, DOI 10.1016/j.mencom.2016.11.025. - Cited References: 11
. - ISSN 0959-9436
Перевод заглавия: Первые координационные соединения SeBr2 с селенсодержащими лигандами: Рентгеноструктурное решение структуры
Аннотация: The molecular structure of the coordination compounds of SeBr2 with 2,6-dichloro- and 2,6-dibromo-9-selenabicyclo[3.3.1]nonane ligands was determined by X-ray powder diffraction analysis. The complexes have a less dense packing in comparison with that in an isostructural complex of SeCl2 with 2,6-dichloro-9-selenabicyclo[3.3.1]nonane.
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Держатели документа:
A. E. Favorsky Irkutsk Institute of Chemistry, Siberian Branch of the Russian Academy of Sciences, Irkutsk, Russian Federation
L. V. Kirensky Institute of Physics, Siberian Branch of the Russian Academy of Sciences, Krasnoyarsk, Russian Federation
Far Eastern State Transport University, Khabarovsk, Russian Federation
Доп.точки доступа:
Abramova, E. V.; Sterkhova, I. V.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Potapov, V. A.; Amosova, S. V.
}
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| 18.
|
Crystal structure, spectroscopic and thermal properties of the coordination compounds M(1,3-diethyl-2-thiobarbiturate) M = Rb+, Cs+, Tl+ and NH4+ / M. S. Molokeev [et al.] // Polyhedron. - 2015. - Vol. 98. - P. 113-119, DOI 10.1016/j.poly.2015.05.048. - Cited References: 43. - The study was carried out within the public task of the Ministry of Education and Science of the Russian Federation for research engineering of the Siberian Federal University in 2015. V.V.A. is grateful to the Ministry of Education and Science of the Russian Federation for financial support of the investigation.
. - ISSN 0277-5387
Перевод заглавия: Кристаллическая структура, спектроскопические и тепловые свойства координационных соединений M(1,3-diethyl-2-thiobarbiturate) M = Rb+, Cs+, Tl+ and NH4+РУБ Chemistry, Inorganic & Nuclear + Crystallography
Рубрики:
2-THIOBARBITURIC ACID
THIOBARBITURIC ACID
1,3-DIETHYL-2-THIOBARBITURIC ACID
HYDROGEN-BOND
COMPLEXES
DIFFRACTION
CHEMISTRY
NETWORKS
LIGAND
SERIES
Кл.слова (ненормированные):
1,3-Diethyl-2-thiobarbituric acid -- Alkali ion thallium(I) and ammonium cations -- Coordination compounds -- Thermal analysis -- X-ray diffraction
Аннотация: Four new compounds of 1,3-diethyl-2-thiobarbituric acid (C8H11N2O2S, Hdetba) with Rb+, Cs+, Tl+ and NH4+ ions were prepared by Hdetba neutralization with the metal carbonates or ammonium hydroxide in aqueous solution. The colorless crystals have been investigated using X-ray diffraction techniques, differential scanning calorimetry, thermogravimetry and infrared spectroscopy. The coordination compounds of MDetba with M = Rb, Cs and Tl crystallize in the orthorhombic space group P212121, but compound NH4Detba crystallizes in the triclinic space group P1¯. The MDetba structures were compared at the molecular and supramolecular levels. The Detba- ion in the NH4+ compound forms conformer (A) with two diethyl groups on one side of the ion ring, whereas the Detba- ion in the Rb(I), Cs(I) and Tl(I) compounds forms conformer (B) with two diethyl groups on different sides of the ring. The results of IR spectroscopy and thermal analysis are consistent with the X-ray data. © 2015 Elsevier Ltd.
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Держатели документа:
Laboratory of Crystal Physics, Kirensky Institute of Physics, SB RAS, bld. 38 Akademgorodok 50, Krasnoyarsk, Russian Federation
Department of Physics, Far Eastern State Transport University, 47 Serysheva Str., Khabarovsk, Russian Federation
Department of Chemistry, Siberian Federal University, 79 Svobodny Aven., Krasnoyarsk, Russian Federation
Institute of Chemistry and Chemical Technology, SB RAS, bld. 24 Akademgorodok 50, Krasnoyarsk, Russian Federation
Laboratory of Optical Materials and Structures, Institute of Semiconductor Physics, 13 Lavrentiev Aven., Novosibirsk, Russian Federation
Functional Electronics Laboratory, Tomsk State University, 36 Lenin Aven., Tomsk, Russian Federation
Laboratory of Semiconductor and Dielectric Materials, Novosibirsk State University, 2 Pirogov Str., Novosibirsk, Russian Federation
Доп.точки доступа:
Molokeev, M. S.; Молокеев, Максим Сергеевич; Golovnev, N. N.; Головнёв, Николай Николаевич; Vereshchagin, S. N.; Верещагин С. Н.; Atuchin, V. V.; Атучин, Виктор Валерьевич
}
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| 19.
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Crystal structure and magnetic properties of Mn substituted ludwigite Co3O2BO3 / Yu. V. Knyazev [et al.] // J. Magn. Magn. Mater. - 2012. - Vol. 324, Is. 6. - P. 923-927, DOI 10.1016/j.jmmm.2011.07.044. - Cited References: 15. - The study was supported by the Russian Foundation for Basic Research (Project no. 09-02-00171-a), the Federal Agency for Science and Innovation (Rosnauka) (Project no. MK-5632.2010.2), the Physical Division of the Russian Academy of Science, the program "Strongly Correlated Electrons", Project 2.3.1.
. - ISSN 0304-8853
Перевод заглавия: Кристаллическая структура и магнитные свойства Mn-замещенного людвигита Co3O2BO3РУБ Materials Science, Multidisciplinary + Physics, Condensed Matter
Рубрики:
BOND VALENT SUMS
COORDINATION CHEMISTRY
OXIDATION -STATE
O BONDS
COMPLEXES
MANGANESE
COBALT
Кл.слова (ненормированные):
Transition metal oxyborate -- Distinct crystallographic position -- Spin glass magnetic ordering
Аннотация: The needle shape single crystals Co3−x MnxO2BO3 with ludwigite structure have been prepared. According to the X-ray diffraction data the preferable character of distinct crystallographic positions occupation by Mn ions is established. Magnetization field and temperature dependencies are measured. Paramagnetic Curie temperature value Θ=−100 K points out the predominance of antiferromagnetic interactions. Spin-glass magnetic ordering takes the onset at TN=41 K. The crystallographic and magnetic properties of Co3O2BO3:Mn are compared with the same for the isostructural analogs Co3O2BO3 and CoO2BO3:Fe.
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Доп.точки доступа:
Knyazev, Yu.V.; Князев, Юрий Владимирович; Ivanova, N. B.; Иванова, Наталья Борисовна; Kazak, N. V.; Казак, Наталья Валерьевна; Platunov, M. S.; Платунов, Михаил Сергеевич; Bezmaternykh, L. N.; Безматерных, Леонард Николаевич; Velikanov, D. A.; Великанов, Дмитрий Анатольевич; Vasiliev, A. D.; Васильев, Александр Дмитриевич; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Yurkin, G. Yu.; Юркин, Глеб Юрьевич
}
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| 20.
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Coordination units of Mn2+ modulation toward tunable emission in zero-dimensional bromides for white light-emitting diodes / G. J. Zhou, J. L. Ding, X. X. Jiang [et al.] // J. Mater. Chem. C. - 2022. - Vol. 10, Is. 6. - P. 2095-2102, DOI 10.1039/d1tc05680h. - Cited References: 57. - The present work was supported by the Natural Science Foundation of China (21871167), the 1331 Project of Shanxi Province and the Postgraduate Innovation Project of Shanxi Normal University (2019XBY018), the Beijing Natural Science Foundation (No. 2214068) and funded by RFBR according to the research project no. 19-52-80003
. - ISSN 2050-7526. - ISSN 2050-7534
Перевод заглавия: Модуляция координационных блоков с Mn2+ для управляемой люминесценции в нульмерных бромидах для белых светодиодовРУБ Materials Science, Multidisciplinary + Physics, Applied
Рубрики:
HALIDE PEROVSKITE NANOCRYSTALS
RECENT PROGRESS
DOPING MN2+
Аннотация: Organic–inorganic metal halides have become a multifunctional platform for manipulating photoluminescence due to highly efficient and tunable emissions, especially for lead-free Mn2+-based halides. Herein, the zero-dimensional (0D) bromides of (C5H14N3)2MnBr4 and (CH6N3)2MnBr4 with different coordination environments were designed and synthesized by a solvent evaporation method. They exhibit green and red broadband emission peaks at 528 nm and 627 nm with high photoluminescence quantum yields of 86.83% and 61.91%, respectively, which are attributed to the d–d transition (4T1(G) → 6A1(S)) of [MnBr4]2− tetrahedral and [Mn3Br12]6− octahedral units. The cases emphasize the effect of organic ligands on the intrinsic emissions of Mn2+ ions, thereby revealing the luminescence mechanism of Mn2+ ions in 0D isolated structures through the Tanabe–Sugano (TS) energy diagram. Thanks to their bright and stable emissions, the fabricated white light-emitting diode (LED) based on (C5H14N3)2MnBr4 and (CH6N3)2MnBr4 provides an outstanding color rendering index (Ra) of 90.8 at a correlated color temperature (CCT) of 3709 K, along with the CIE chromaticity coordinates of (0.3985, 0.3979) and a luminous efficacy of 51.2 lm W−1. This work aims at clarifying the relationship between the coordination units of Mn2+ and tunable emissions, and in particular, proposes a new strategy to explore phosphors excited by blue light for white LEDs.
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Держатели документа:
Shanxi Normal Univ, Sch Chem & Mat Sci, Key Lab Magnet Mol & Magnet Informat Mat, Minist Educ, Taiyuan 030006, Peoples R China.
Chinese Acad Sci, China Tech Inst Phys & Chem, Beijing 100190, Peoples R China.
Fed Res Ctr KSC SB RAS, Kirensky Inst Phys, Lab Crystal Phys, Krasnoyarsk 660036, Russia.
Siberian Fed Univ, Dept Engn Phys & Radioelect, Krasnoyarsk 660041, Russia.
Kemerovo State Univ, Res & Dev Dept, Kemerovo 650000, Russia.
Beijng Technol & Business Univ, Dept Phys, Beijing 100048, Peoples R China.
Taiyuan Univ Technol, Coll Chem & Chem Engn, Key Lab Interface Sci & Engn Adv Mat, Minist Educ, Taiyuan 030024, Shanxi, Peoples R China.
Доп.точки доступа:
Zhou, Guojun; Ding, Jialiang; Jiang, Xingxing; Zhang, Jian; Molokeev, M. S.; Молокеев, Максим Сергеевич; Ren, Qiqiong; Zhou, Jun; Li, Shili; Zhang, Xian-Ming
}
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