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A comparative study of the structure of copper and lead xanthates / S. A. Vorobyev [et al.] // J. Struct. Chem. - 2017. - Vol. 58, Is. 6. - P. 1144-1151, DOI 10.1134/S0022476617060117. - Cited References: 38 . - ISSN 0022-4766
Кл.слова (ненормированные):
copper xanthate -- lead xanthate -- dixanthogen -- structure -- XPS -- EXAFS -- solid state NMR
Аннотация: XPS, PbL3 and CuK EXAFS, solid state NMR, and EPR techniques are used to study insoluble products formed in the interaction of aqueous solutions of lead(II) nitrate and copper (II) sulfate with potassium nbutylxanthate (KX). The XPS spectra of lead xanthates with the composition PbX2 are similar to those of KX, and interatomic distances of 0.279 nm suggest a nearly ionic character of Pb–S bonds. In copper xanthate precipitating together with dixanthogen (approximately 15 wt.%), the Cu(I)–S bond length is smaller (0.229 nm), and copper coordination number of 2.9 in a composite with dixanthogen increases to 3.3 after its removal by washing with acetone. The XPS spectra indicate the covalent character of the bond and non-equivalence of xanthate radicals. Solid state 1H and 13C NMR spectra as well as the actual absence of metal lines under the measurement conditions demonstrate strong disordering of the structure of xanthates, which is stronger for PbX2 and weakest in CuX after the removal of dixanthogen. EPR reveals sulfur-containing radicals and Cu2+ in CuX, however, their amounts are insignificant and decrease after the washing with acetone. The results of the work are significant for the understanding of the reactivity of xanthates, in particular, under the conditions of flotation of base metal ores.

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Публикация на русском языке Сравнительное исследование структуры ксантогенатов меди и свинца [Текст] / C. А. Воробьев [и др.] // Журн. структ. химии. - 2017. - Т. 58 № 6. - С. 1191-1198

Держатели документа:
Institute of Chemistry and Chemical Technology, Siberian Branch, Russian Academy of Sciences, Krasnoyarsk, Russian Federation
Siberian Federal University, Krasnoyarsk, Russian Federation
Nikolaev Institute of Inorganic Chemistry, Siberian Branch, Russian Academy of Sciences, Novosibirsk, Russian Federation
Kirensky Insitute of Physics, Siberian Branch, Russian Academy of Sciences, Krasnoyarsk, Russian Federation

Доп.точки доступа:
Vorobyev, S. A.; Saikova, S. V.; Erenburg, S. B.; Trubina, S. V.; Ivanov, Y. N.; Иванов, Юрий Николаевич; Maksimov, N. G.; Mikhlin, Y. L.
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    A non-typical sequence of phase transitions in (NH4)3GeF7: optical and structural characterization / S. V. Mel'nikova [et al.] // Dalton Trans. - 2016. - Vol. 45, Is. 12. - P. 5321-5327, DOI 10.1039/c5dt04907e. - Cited References:25. - The reported study was partially supported by RFBR, research project no. 15-02-02009 a . - ISSN 1477-9226. - ISSN 1477-9234
   Перевод заглавия: Необычная последовательность фазовых переходов в (NH4)3GeF7: Оптическое и структурное исследование

РУБ Chemistry, Inorganic & Nuclear
Рубрики:
Crystal-structure
   Powder diffraction
   NH4F
   Fluorination
Аннотация: Single crystals of germanium double salt (NH4)3GeF7 = (NH4)2GeF6·NH4F = (NH4)3[GeF6]F were grown and studied by the methods of polarization optics and X-ray diffraction. The birefringence Δn = (no − ne), the rotation angle of the optical indicatrix ϕ(T) and unit cell parameters were measured in the temperature range 100–400 K. Three structural phase transitions were found at the temperatures: T1↓ = 279.2 K (T1↑ = 279.4 K), T2↑ = 270 K (T2↓ = 268.9 K), T3↓ = 218 K (T3↑ = 227 K). An unusual sequence of symmetry transformations with temperature change was established: P4/mbm (Z = 2) (G1) ↔ Pbam (Z = 4) (G2) ↔ P21/c (Z = 4) (G3) ↔ Pa (Z = 8) (G4). The crystal structures of different phases were determined. The experimental data were additionally interpreted by a group-theoretical analysis of the complete condensate of order parameters taking into account the critical and noncritical atomic displacements. Strengthening of the N–H⋯F hydrogen bonds can be a driving force of the observed phase transitions.

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Держатели документа:
SB RAS, Lab Crystal Phys, Kirensky Inst Phys, Krasnoyarsk 660036, Russia.
Far Eastern State Transport Univ, Dept Phys, Khabarovsk 680021, Russia.
RAS, Inst Chem, Far Eastern Branch, Vladivostok 690022, Russia.
Siberian Fed Univ, Krasnoyarsk 660074, Russia.

Доп.точки доступа:
Mel'nikova, S. V.; Мельникова, Светлана Владимировна; Molokeev, M. S.; Молокеев, Максим Сергеевич; Laptash, N. M.; Misyul, S. V.; Мисюль, Сергей Валентинович; RFBR [15-02-02009 a]
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    A novel Cr3+-doped stannate far red phosphor for plant lighting: structure evolution, broad-narrow spectrum tuning and application prospect / S. J. Gai, C. Zhou, L. Peng [et al.] // Mater. Today Chem. - 2022. - Vol. 26. - Ст. 101107, DOI 10.1016/j.mtchem.2022.101107. - Cited References: 50. - The authors would like to gratefully acknowledge funds from the National Natural Science Foundation of China (Grant No. 51974123), the Distinguished Youth Foundation of Hunan Province (Grant No.2020JJ2018), the Key R & D projects in Hunan Province (2020WK2016, 2020SK2032, 2021SK2047, 2022NK2044), the Natural Science Foundation of Hunan Province, China (Grant No. 2021JJ40261), the Hunan High Level Talent Gathering Project (2019RS1077&2020RC5007), the Scientific Research Fund of Hunan Provincial Education Department (19C0903), the Natural Sciences Foundation of Hunan Agricultural University, China (Grant No. 19QN11), Hunan Provincial Key Laboratory of Crop Germplasm Innovation and Resource Utilization Science Foundation (19KFXM12), Changsha Science and technology plan (KH2005114 and KH2201428), the Hunan Graduate Scientific Research Innovation Project (2022XC017) and the College Students' Innovative Training (S202110537012 and s202210537079x) . - ISSN 2468-5194
   Перевод заглавия: Новый станнатный инфракрасный люминофор, легированный Cr3+, для освещения растений: решение структуры, настройка широкого спектра и перспективы применения
Кл.слова (ненормированные):
Mg2SnO4: Cr3+ -- Chemical unit cosubstitution -- Emission tuning -- Local structural modification -- Plant growth LEDs
Аннотация: Chemical unit cosubstitution is an effective strategy to regulate the luminescence properties of phosphors, and it has attracted huge attention in the last few years. Following the design principles of the match of effective ion radius, atomic valence equilibrium and stoichiometric substitution, the local structure of crystal can be well customized, which is beneficial to develop high-performance luminescent materials. In this work, Mg2+-Sn4+ sites were cosubstituted by Zn2+-Ti4+ ion pairs in Mg2SnO4: Cr3+, respectively, and the emission spectra was successfully serially tuned from broad-band to narrow-band along with a unique variation trend of blue shift first and then slightly red shift. The photoluminescence excitation (PLE), photoluminescence (PL) spectra, lifetime decay, Raman spectra and electron paramagnetic resonance (EPR) were used to analyze the mechanism of luminescence tuning. Based on the manipulation of local structure, the as-observed distinct luminescence tuning can be well understood by the crystal field theory, nephelauxetic effect and changed Cr3+ capacity in this phosphor. Moreover, the adjusted narrow-band far-red emission spectra peak at 732 nm, matching the characteristic absorption of plant phytochrome PFR, has broad application prospects in the field of plant growth lighting. In addition, light-regulated dwarf potted tomato experiments were carried out to verify the application of far-red light in plant growth.

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Держатели документа:
College of Bioscience and Biotechnology, Hunan Agricultural University, Changsha, 410128, China
School of Chemistry and Materials Science, Hunan Agricultural University, Changsha, 410128, China
Hunan Optical Agriculture Engineering Technology Research Center, Changsha, 410128, China
Laboratory of Crystal Physics, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk660036, Russian Federation

Доп.точки доступа:
Gai, S. J.; Zhou, C.; Peng, L.; Wu, M. H.; Gao, P. X.; Su, L. J.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Zhou, Z.; Xia, M.
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A quantum chemical study of the formation of 2-hydroperoxy-coelenterazine in the Ca2+-regulated photoprotein obelin / L. Y. Antipina [et al.] // Journal of Structural Chemistry. - 2011. - Т. 52, № 5. - P870-875 . - ISSN 0022-4766. - ISSN 1573-8779

РИНЦ
Держатели документа:
Institute of Biophysics,Siberian Division,Russian Academy of Sciences
L. V. Kirensky Institute of Physics,Siberian Division,Russian Academy of Sciences
M. F. Reshetnev Siberian State Aerospace University

Доп.точки доступа:
Antipina, L.Y.; Tomilin, F. N.; Томилин, Феликс Николаевич; Ovchinnikov, S.G.; Vysotskii, E.S.
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A quantum chemical study of the formation of 2-hydroperoxy-coelenterazine in the Сa2+-regulated photoprotein obelin / L. Y. Antipina [et al.] // J. Struct. Chem. - 2011. - Vol. 52, Is. 5. - P. 870-875. - Cited References: 19. - The work was supported by RFBR (07-04-00930-a), the "Molecular and Cell Biology" Program of the Presidium of the Russian Academy of Sciences, and the Program of the Siberian Division of the Russian Academy of Sciences (project No. 2) within the implementation of the Federal Targeted Program "Scientific and Scientific Pedagogical Personnel of Innovative Russia, 2010" (P333 and P213). . - ISSN 0022-4766

РУБ Chemistry, Inorganic & Nuclear + Chemistry, Physical
Рубрики:
CALCIUM-DISCHARGED OBELIN
   SEMIEMPIRICAL METHODS
   1.7 ANGSTROM
   OPTIMIZATION
   PARAMETERS
   MECHANISM
   FLUORESCENCE
   ELEMENTS
   PROTEIN
   EMITTER
Кл.слова (ненормированные):
coelenterazine -- 2-hydroperoxy-coelenterazine -- Obelia longissima -- Renilla muelleri
Аннотация: The Ca2+-regulated photoprotein obelin determines the luminescence of the marine hydroid Obelia longissima. Bioluminescence is initiated by calcium and appears as a result of the oxidative decarboxylation related to the coelenterazine substrate. The luciferase of the luminescent marine coral Renilla muelleri (RM) also uses coelenterazine as a substrate. However, three proteins are involved in the in vivo bioluminescence of these animals: luciferase, green fluorescent protein, and Ca2+-regulated coelenterazine-binding protein (CBP). In fact, CBP that contains one strongly bound coelenterazine molecule is the RM luciferase substrate in the in vivo bioluminescent reaction. Coelenterazine becomes available for oxygen and the reaction with luciferase only after binding CBP with calcium ions. Unlike Ca2+-regulated photoproteins, the coelenterazine molecule is not activated by oxygen in the CBP molecule. In this work, by means of quantum chemical methods the behavior of substrates in these proteins is analyzed. It is shown that coelenterazine can form different tautomers: CLZ(2H) and CLZ(7H). The formation of 2-hydroperoxy-coelenterazine is studied. According to the obtained data, these proteins use different forms of the substrates for the reaction. In obelin, the substrate is in the CLZ(2H) form that affords hydrogen peroxide. In RM, coelenterazine is in the CLZ(7H) form, and therefore, CBP is not activated by oxygen.

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Держатели документа:
Russian Acad Sci, LV Kirensky Phys Inst, Siberian Div, Krasnoyarsk, Russia
Russian Acad Sci, Inst Biophys, Siberian Div, Krasnoyarsk, Russia
MF Reshetnev Siberian State Aerosp Univ, Krasnoyarsk, Russia

Доп.точки доступа:
Antipina, L. Yu.; Tomilin, F. N.; Томилин, Феликс Николаевич; Vysotski, E. S.; Высоцкий, Евгений Степанович; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич
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Action of the atomic and electronic structure of pheromone molecules on the effectiveness of communication in xylophagous insects / P. V. Artyushenko [et al.] // J. Struct. Chem. - 2016. - Vol. 57, Is. 2. - P. 287-293, DOI 10.1134/S0022476616020074. - Cited References:27. - This work was supported by RFBR projects Nos. 13-04-00375 and16-04-00132. . - ISSN 0022-4766. - ISSN 1573-8779

РУБ Chemistry, Inorganic & Nuclear + Chemistry, Physical
Рубрики:
Monochamus-galloprovincialis coleoptera
   Density-functional theories
   Beetle Ips-typographus
   Pine sawyer beetle
   Aggregation pheromone
   Cerambycidae
   Attraction
   Components
   Attack
   Set
Кл.слова (ненормированные):
atomic and electronic structure -- functional density methods -- absorption -- spectra -- excited states -- xylophages -- pheromones
Аннотация: The B3LYD /6-31(p,d) density functional method is applied to pheromones of the forest xylophagous insects Ips typographus L., Monochamus urussovi Fisch., and Monochamus galloprovincialis Oliv. to calculate the absorption spectra and find excited states. The calculated results are used to assess the possible activity of the molecules when they are affected by solar radiation.

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Публикация на русском языке Влияние атомной и электронной структуры молекул феромонов на эффективность коммуникации насекомых-ксилофагов [Текст] / П. В. Артюшенко [и др.] // Журн. структ. химии. - 2016. - Т. 57 № 2. - С. 304-310

Держатели документа:
Russian Acad Sci, Kirensky Inst Phys, Siberian Branch, Krasnoyarsk, Russia.
Siberian Fed Univ, Krasnoyarsk, Russia.
Russian Acad Sci, Siberian Branch, KSC Presidium, Int Res Ctr Studies Extreme States Organism, Krasnoyarsk, Russia.
Russian Acad Sci, Siberian Branch, Sukachev Inst Forest, Krasnoyarsk, Russia.

Доп.точки доступа:
Artyushenko, P. V.; Артюшенко, Полина Владимировна; Tomilin, F. N.; Томилин, Феликс Николаевич; Kuzubov, A. A.; Кузубов, Александр Александрович; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Tsikalova, P. E.; Ovchinnikova, T. M.; Soukhovolsky, V. G.; RFBR [13-04-00375, 16-04-00132]
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Aleksandrov, K. S.
Atomic mechanisms of structural phase transitions / K. S. Aleksandrov // Acta crystallographica Section A: Foundations and Advances. - 1987. - Vol. 43: Supplement. - P. 5-6

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Доп.точки доступа:
Александров, Кирилл Сергеевич; International Congress of the International Union of Crystallography(14 ; 1987 ; Aug. 12-20 ; Perth, Australia)
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    Aleksandrov, K. S.
    Hierarchies of perovskite-like crystals (Review) / K. S. Aleksandrov, V. V. Beznosikov // Phys. Solid State. - 1997. - Vol. 39, Is. 5. - P. 695-715, DOI 10.1134/1.1130120. - Cited References: 143 . - ISSN 1063-7834
Рубрики:
CU-O SYSTEM
   HIGH-PRESSURE SYNTHESIS
   SUPERCONDUCTING COPPER OXIDES
   STRUCTURAL PHASE-TRANSITIONS
   NEUTRON POWDER DIFFRACTION
   SINGLE-CRYSTAL
   X-RAY
   CUPRATE SUPERCONDUCTORS
   DIELECTRIC-PROPERTIES
   HOMOLOGOUS SERIES
Аннотация: A system of mutual relationships (a hierarchy) is constructed between various perovskite-like crystal structures based on available structural data. All the perovskite-like structures are characterized by a common indicator of their relationship-the presence of layers, stacks, or frameworks made up of BX6 octahedra linked at their vertices (where B is a cation, X is an anion) or fragments of octahedra in the form of BX5 pyramids or BX4 squares in anion-deficient compounds. In layered structures, these stacks are joined to each other by various intermediate blocks. It is well known that one homological series of compounds is constructed by increasing the number of layers in a stack while preserving the same kind of connecting block. Crystals of various series that contain identical stacks (but different blocks of one or two types) can also be related to one another via this feature. The hierarchical system includes compounds with small distortions in their structures for various reasons. (C) 1997 American Institute of Physics.

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Публикация на русском языке Александров, Кирилл Сергеевич. Иерархия перовскитоподобных кристаллов (Обзор) [Текст] / К. С. Александров, Б. В. Безносиков // Физ. тверд. тела. - Санкт-Петербург, 1997. - Т. 39 Вып. 5. - С. 785-808

Доп.точки доступа:
Beznosikov, B. V.; Безносиков, Борис Валерьевич; Александров, Кирилл Сергеевич
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Aleksandrov, K. S.
Mechanisms of the ferroelectric and structural phase transitions. Structural distortions in perovskites / K. S. Aleksandrov // Ferroelectrics. - 1978. - Vol. 20, Spesial issue. - P. 61-67DOI 10.1080/00150197808239430

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Доп.точки доступа:
Александров, Кирилл Сергеевич; International meeting on ferroelectricity(4 ; 1977 ; 18-23 Sept. ; Leningrad)
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10.

Aleksandrov, K. S.
Structural aspects of phase transitions in crystals / K. S. Aleksandrov // Ferroelectrics. - 1983. - Vol. 53, Is. 1. - P. 153-154, DOI 10.1080/00150198408245044 . - ISSN 0015-0193

РУБ Materials Science, Multidisciplinary + Physics, Condensed Matter

Кл.слова (ненормированные):
FERROELECTRIC MATERIALS -- LITHIUM COMPOUNDS - X-Ray Analysis -- PHASE TRANSITIONS -- CRYSTALS
Аннотация: Modern X-ray methods obtain in a short time the complete set of structural amplitudes and solve a crystal structure at constant temperatures (or pressures) on both sides of phase transition. A review of structure investigations with the crystals having the common formula Me prime Me double prime BX//4 (Me prime , Me double prime equals Li, Na, K, Rb, Cs, NH//4 and H; BX//4**2** plus equals SO//4, SeO//4, BeF//4, ZnCl//4) is presented.

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Доп.точки доступа:
Александров, Кирилл Сергеевич; European Meeting on Ferroelectricity(5 ; 1983 ; Sept. ; 26-30 ; Malaga, Sp)
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