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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Vorobyev S. A., Saikova S. V., Erenburg S. B., Trubina S. V., Ivanov Y. N., Maksimov N. G., Mikhlin Y. L.
Заглавие : A comparative study of the structure of copper and lead xanthates
Место публикации : J. Struct. Chem. - 2017. - Vol. 58, Is. 6. - P.1144-1151. - ISSN 00224766 (ISSN), DOI 10.1134/S0022476617060117
Примечания : Cited References: 38
Ключевые слова (''Своб.индексиров.''): 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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Mel'nikova S. V., Molokeev M. S., Laptash N. M., Misyul S. V.
Заглавие : A non-typical sequence of phase transitions in (NH4)3GeF7: optical and structural characterization
Коллективы : RFBR [15-02-02009 a]
Место публикации : Dalton Trans.: Royal Society of Chemistry, 2016. - Vol. 45, Is. 12. - P.5321-5327. - ISSN 1477-9226, DOI 10.1039/c5dt04907e. - ISSN 1477-9234(eISSN)
Примечания : Cited References:25. - The reported study was partially supported by RFBR, research project no. 15-02-02009 a
Предметные 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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Gai S. J., Zhou C., Peng L., Wu M. H., Gao P. X., Su L. J., Molokeev M. S., Zhou Z., Xia M.
Заглавие : A novel Cr3+-doped stannate far red phosphor for plant lighting: structure evolution, broad-narrow spectrum tuning and application prospect
Место публикации : Mater. Today Chem. - 2022. - Vol. 26. - Ст.101107. - ISSN 24685194 (ISSN), DOI 10.1016/j.mtchem.2022.101107
Примечания : 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)
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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Antipina L.Y., Tomilin F. N., Ovchinnikov S.G., Vysotskii E.S.
Заглавие : A quantum chemical study of the formation of 2-hydroperoxy-coelenterazine in the Ca2+-regulated photoprotein obelin
Место публикации : Journal of Structural Chemistry. - Новосибирск: Pleiades Publishing, Ltd. (Плеадес Паблишинг, Лтд), 2011. - Т. 52, № 5. - С. 870-875. - ISSN 0022-4766. - ISSN 1573-8779(eissn)
РИНЦ
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Antipina L. Yu., Tomilin F. N., Vysotski E. S., Ovchinnikov S. G.
Заглавие : A quantum chemical study of the formation of 2-hydroperoxy-coelenterazine in the Сa2+-regulated photoprotein obelin
Место публикации : J. Struct. Chem.: Springer, 2011. - Vol. 52, Is. 5. - P.870-875. - ISSN 0022-4766
Примечания : 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).
Предметные рубрики: CALCIUM-DISCHARGED OBELIN
SEMIEMPIRICAL METHODS
1.7 ANGSTROM
OPTIMIZATION
PARAMETERS
MECHANISM
FLUORESCENCE
ELEMENTS
PROTEIN
EMITTER
Ключевые слова (''Своб.индексиров.''): 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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Artyushenko P. V., Tomilin F. N., Kuzubov A. A., Ovchinnikov S. G., Tsikalova P. E., Ovchinnikova T. M., Soukhovolsky V. G.
Заглавие : Action of the atomic and electronic structure of pheromone molecules on the effectiveness of communication in xylophagous insects
Коллективы : RFBR [13-04-00375, 16-04-00132]
Место публикации : J. Struct. Chem.: MAIK Nauka-Interperiodica / Springer, 2016. - Vol. 57, Is. 2. - P.287-293. - ISSN 0022-4766, DOI 10.1134/S0022476616020074. - ISSN 1573-8779(eISSN)
Примечания : Cited References:27. - This work was supported by RFBR projects Nos. 13-04-00375 and16-04-00132.
Предметные рубрики: Monochamus-galloprovincialis coleoptera
Density-functional theories
Beetle Ips-typographus
Pine sawyer beetle
Aggregation pheromone
Cerambycidae
Attraction
Components
Attack
Set
Ключевые слова (''Своб.индексиров.''): 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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Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Aleksandrov K. S.
Заглавие : Atomic mechanisms of structural phase transitions
Коллективы : International Congress of the International Union of Crystallography
Место публикации : Acta crystallographica Section A: Foundations and Advances. - 1987. - Vol. 43: Supplement. - P.5-6
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Aleksandrov K. S., Beznosikov B. V.
Заглавие : Hierarchies of perovskite-like crystals (Review)
Место публикации : Phys. Solid State: AMER INST PHYSICS, 1997. - Vol. 39, Is. 5. - P.695-715. - ISSN 1063-7834, DOI 10.1134/1.1130120
Примечания : Cited References: 143
Предметные 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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Aleksandrov K. S.
Заглавие : Mechanisms of the ferroelectric and structural phase transitions. Structural distortions in perovskites
Коллективы : International meeting on ferroelectricity
Место публикации : Ferroelectrics. - 1978. - Vol. 20, Spesial issue. - P.61-67. - DOI 10.1080/00150197808239430
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10.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Aleksandrov K. S.
Заглавие : Structural aspects of phase transitions in crystals
Коллективы : European Meeting on Ferroelectricity
Место публикации : European Meeting on Ferroelectricity (5 ; 1983 ; Sept. ; 26-30 ; Malaga, Sp). Ferroelectrics. - 1983. - Vol. 53, Is. 1. - P.153-154. - ISSN 0015-0193, DOI 10.1080/00150198408245044
Ключевые слова (''Своб.индексиров.''): 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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