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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Sukhikh, Taisiya S., Khisamov, Radmir M., Bashirov D. A., Komarov, Vladislav Yu, Molokeev M. S., Ryadun, Alexey A., Benassi E., Konchenko, Sergey N.
Заглавие : Tuning of the coordination and emission properties of 4-amino-2,1,3-benzothiadiazole by introduction of diphenylphosphine group
Коллективы : Russian Science FoundationRussian Science Foundation (RSF) [19-73-00030]; RFBRRussian Foundation for Basic Research (RFBR) [19-52-80003]
Место публикации : Cryst. Growth Des. - 2020. - Vol. 20, Is. 9. - P.5796-5807. - ISSN 1528-7483, DOI 10.1021/acs.cgd.0c00406. - ISSN 1528-7505(eISSN)
Примечания : 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
Предметные 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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Onufrienok V. V., Chzhan A. V., Bondarenko G. V., Yurkin G. Yu.
Заглавие : Transition of metastable pyrrhotites to a stable phase state
Место публикации : Inorg. Mater. - 2020. - Vol. 56, Is. 9. - P.898-902. - ISSN 0020-1685, DOI 10.1134/S0020168520090137. - ISSN 1608-3172(eISSN)
Примечания : Cited References: 23
Предметные рубрики: MAGNETIC-PROPERTIES
TEMPERATURE
CHEMISTRY
Аннотация: Equilibrium phase relations of synthetic minerals prepared by annealing metastable iron sulfides, followed by prolonged isothermal storage in the Earth atmosphere, have been studied by X-ray diffraction. The results demonstrate that prolonged storage of synthetic pyrrhotites annealed at different temperatures makes it possible to identify metastable and stable phases of Fe and S compounds.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Kartashev A. V., Gorev M. V., Bogdanov E. V., Flerov I. N., Laptash N. M.
Заглавие : Thermal properties and phase transition in the fluoride, (NH4)3SnF7
Место публикации : J. Solid State Chem. - 2016. - Vol. 237. - P.269-273. - ISSN 00224596 (ISSN), DOI 10.1016/j.jssc.2016.02.027
Примечания : Cited References: 18. - This study was partially supported by the Russian Foundation for Basic Research (RFBR), research Project no. 15-02-02009a.
Предметные рубрики: Heat-capacity
Chemistry
Ключевые слова (''Своб.индексиров.''): phase transition--fluorides--heat capacity--entropy--thermal expansion--high pressure
Аннотация: Calorimetric, dilatometric and differential thermal analysis studies were performed on (NH4)3SnF7 for a wide range of temperatures and pressures. Large entropy (δS0=22 J/mol K) and elastic deformation (δ(ΔV/V)0=0.89%) jumps have proven that the Pa-3虠Pm-3m phase transition is a strong first order structural transformation. A total entropy change of ΔS0=32.5 J/mol K is characteristic for the order-disorder phase transition, and is equal to the sum of entropy changes in the related material, (NH4)3TiF7, undergoing transformation between the two cubic phases through the intermediate phases. Hydrostatic pressure decreases the stability of the high temperature Pm-3m phase in (NH4)3SnF7, contrary to (NH4)3TiF7, characterised by a negative baric coefficient. The effect of experimental conditions on the chemical stability of (NH4)3SnF7 was observed. © 2016 Elsevier Inc.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Gorev M. V., Bondarev V. S., Flerov I. N., Maglione M., Simon A., Sciau P., Boulos M., Guillemet-Fritsch S.
Заглавие : Thermal expansion, polarization and phase diagrams of Ba1-yBi2y/3Ti1-xZrxO3 and Ba1-yLayTi1-y/4O3 compounds
Коллективы : Russian Foundation for Basic Research [07-02-00069]; Council on Grants from the President of the Russian Federation for Support of Leading Scientific Schools [NSh-1011.2008.2]
Разночтения заглавия :авие SCOPUS: Thermal expansion, polarization and phase diagrams of Ba 1-yBi2y/3Ti1-xZrxO3 and Ba1-yLayTi1-y/4O3 compounds
Место публикации : J. Phys.: Condens. Matter: IOP PUBLISHING LTD, 2009. - Vol. 21, Is. 7. - Ст.75902. - С. P. - ISSN 0953-8984, DOI 10.1088/0953-8984/21/7/075902
Примечания : Cited References: 28. - This work was supported by the Russian Foundation for Basic Research ( project no. 07-02-00069) and the Council on Grants from the President of the Russian Federation for Support of Leading Scientific Schools ( project no. NSh-1011.2008.2).
Предметные рубрики: HEAT-CAPACITY
CERAMICS
BA(TI1-XZRX)O-3
FERROELECTRICS
BEHAVIOR
BATIO3
BATI0.65ZR0.35O3
CONDUCTIVITY
PEROVSKITES
CHEMISTRY
Ключевые слова (''Своб.индексиров.''): barium--dielectric properties--lanthanum--phase diagrams--polarization--thermal stress--zirconium--ceramic compositions--root mean squares--temperature ranges--temperature-dependent measurements--thermal expansion co-efficient--thermal-expansion properties--thermal expansion
Аннотация: The thermal expansion properties of the ceramic compositions Ba1-yLayTi1-y/4O3 (y = 0.0, 0.026, 0.036, 0.054) and Ba1-yBi2y/3Ti1-xZrxO3 (y = 0.10; x = 0.0, 0.04, 0.05, 0.10, 0.15) were determined in the temperature range 120-700 K. We report the temperature- dependent measurements of the strain, thermal expansion coefficient and the magnitude of root mean square polarization. The results obtained are discussed together with the data on the structure and dielectric properties.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Golovnev N. N., Molokeev M. S., Vereshchagin, Sergey N., Sterkhova I. V., Atuchin V. V.
Заглавие : The cis-trans isomer transformation, spectroscopic and thermal properties of Li, Na, K 1,3-diethyl-2-thiobarbiturate complexes
Коллективы : Ministry of Education and Science of the Russian Federation
Место публикации : Polyhedron: PERGAMON-ELSEVIER SCIENCE LTD, 2015. - Vol. 85. - P.493-498. - ISSN 0277-5387, DOI 10.1016/j.poly.2014.09.011
Примечания : 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.
Предметные рубрики: CRYSTAL-STRUCTURE
2-THIOBARBITURIC ACID
STRUCTURAL-CHARACTERIZATION
HYDROGEN-BOND
DIFFRACTION
THIOBARBITURATE
CHEMISTRY
NETWORKS
SPECTRA
SERIES
Ключевые слова (''Своб.индексиров.''): 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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Tarakina N. V., Tyutyunnik A. P., Bazuev G. V., Vasiliev A. D., Gould C., Nikolaenko I. V., Berger I. F.
Заглавие : Synthesis and crystal structure of a new hexagonal perovskite 7H-Ba7Li1.75Mn3.5O15.75 with Mn4+/Mn5+ charge distribution
Место публикации : Dalton Trans.: Royal Society of Chemistry, 2015. - Vol. 44, Is. 42. - P.18527-18535. - ISSN 1477-9226, DOI 10.1039/c5dt01528f
Примечания : Cited References: 40. - The authors regret a spelling mistake in the surname of one of authors. The surname given as ‘Vasilev’ should be ‘Vasiliev’N.V.T. acknowledges funding by the Bavarian Ministry of Sciences, Research and the Arts. X-ray powder diffraction studies were carried out at the Center for collective use "X-ray structure analysis" at the Institute of Solid State Chemistry, Ural Branch of RAS (Ekaterinburg, Russia)
Предметные рубрики: Magnetic-properties
Chemistry
Phases
Аннотация: Ba7Li1.75Mn3.5O15.75 is a new hexagonal perovskite whose crystal structure has elements typical for the layered hexagonal perovskites and quasi-one-dimensional oxides, hence representing a new polytype. It has been synthesized via a solid-state microwave route. The crystal structure was solved using a combination of X-ray and neutron diffraction data, which show that Ba7Li1.75Mn3.5O15.75 crystallizes in a hexagonal unit cell with parameters a = 5.66274(2) A and c = 16.7467(1) A (V = 465.063(4) A3), with one formula unit, and can be described as columns of face-shared octahedra occupied by Mn4+ and Li+ cations and vacancies along the c axis separated in the ab plane by barium atoms. Every sixth layer, the coordination of Mn5+ and Li+ changes to tetrahedral. Additional local ordering of manganese and lithium atoms among cationic sites leading to the formation of a rhombohedral supercell has been observed by scanning transmission electron microscopy.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Kononova O.N., Melnikov A.M., Borisova T.V., Krylov A. S.
Заглавие : Simultaneous ion exchange recovery of platinum and rhodium from chloride solutions
Место публикации : Hydrometallurgy. - 2011. - Vol. 105, Is. 3-4. - P.341-349. - JAN. - ISSN 0304-386X, DOI 10.1016/j.hydromet.2010.11.009
Примечания : Cited Reference Count: 46
Предметные рубрики: GROUP-METALS PGM
SEPARATION
CATALYST
ANION
ADSORPTION
EXTRACTION
CHEMISTRY
RESIN
Ключевые слова (''Своб.индексиров.''): platinum--rhodium--sorption--anion exchangers--chloride solutions--anion exchangers--chloride solutions--platinum--rhodium--sorption--ammonium thiocyanate--anion exchangers--basic parameters--chemical structure--chloride solutions--diffusion coefficients--distribution coefficient--exchange capacities--kinetic properties--noble metals--purolite--rhodium chloride--separation factors--sorption ability--work focus--ammonium compounds--chlorine compounds--desorption--hydrochloric acid--ion exchange--ion exchange resins--ions--platinum--platinum compounds--potassium hydroxide--precious metals--recovery--rhodium--sulfuric acid--thioureas--urea--rhodium compounds
Аннотация: This work focuses on the sorption recovery of platinum (II, IV) and rhodium (III) simultaneously present in chloride solutions, freshly prepared and stored over 3 months, on commercial anion exchangers with different physical and chemical structure. The sorption was carried out from solutions with 0.001-4.0 mol/L HCl. The initial platinum and rhodium concentrations in contacting solutions were 0.25-2.5 mmol/L Sorption and kinetic properties of the chosen anion exchangers were investigated and the basic parameters of exchange capacity, recovery, distribution coefficients, separation factors, process rate, diffusion coefficients and half-exchange times were calculated. It is shown that anion exchangers investigated possess high sorption ability to platinum and rhodium chloride complexes, which does not deteriorate in case of stored solutions. Desorption of platinum and rhodium from the resins investigated was carried out with hydrochloric acid (2 mol/L), thiourea (1 mol/L) in sulfuric acid (2 mol/L) or in potassium hydroxide (2 mol/L) as well as by ammonium thiocyanate (2 mol/L). It was shown that complete separation of platinum and rhodium can be carried out with 2 mol/L HCl on anion exchanger Purolite S 985, whereas 2 mol/L NH(4)SCN as an elution agent leads to complete separation of noble metals on anion exchangers Purolite S 985, Purolite A 500 and AM-2B. (C) 2010 Elsevier B.V. All rights reserved.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Vasilchenko D., Vorob'eva S., Tkachev S., Baidina I. A., Belyaev A., Korenev S., Solovyov L., Vasiliev A. D.
Заглавие : Rhodium(III) speciation in concentrated nitric acid solutions
Коллективы : Russian Foundation for Basic Research [16-03-00549 A]; Ministry for Education and Science of the Russian Federation
Место публикации : Eur. J. Inorg. Chem.: Wiley-VCH Verlag, 2016. - Vol. 2016, Is. 23. - P.3822-3828. - ISSN 1434-1948, DOI 10.1002/ejic.201600523. - ISSN 1099-0682(eISSN)
Примечания : Cited References:31. - This work was supported by the Russian Foundation for Basic Research (grant number 16-03-00549 A). D. V. thanks the Ministry for Education and Science of the Russian Federation for the award of a President of the Russian Federation for Young Scientists Fellowship.
Предметные рубрики: MAGNETIC-RESONANCE
FISSION PLATINOIDS
AQUEOUS-SOLUTIONS
PT-195 NMR
RH(III)
SPECTROSCOPY
CHEMISTRY
DISSOCIATION
PLATINUM(IV)
COMPLEXES
Ключевые слова (''Своб.индексиров.''): rhodium--nmr spectroscopy--nitrates
Аннотация: The interaction of rhodium(III) aqua ions with nitrate ions in 3–16 m nitric acid solutions has been studied by 103Rh and 15N NMR and Raman spectroscopy. The mononuclear complexes [Rh(H2O)6–n(NO3)n]3–n (n = 1–4) were found to be the only form of rhodium(III) existing in the solutions with the metal concentration in the range 0.2–1.3 m. The dynamics of the H2O → NO3– substitution process was studied at 80 °C. An increase in the average number of nitrate groups bonded to rhodium with increasing concentration of nitric acid was also determined. The fine crystalline salt Rb4trans-[Rh(H2O)2(NO3)4][Rh(NO3)6] was obtained by solvothermal concentration of the rhodium nitric acid solution on addition of rubidium nitrate. The structure of the salt was solved by the powder X-ray diffraction method, with monodentate coordination of nitrato ligands found for both the [Rh(NO3)6]3– and trans-[Rh(H2O)2(NO3)4]– anions.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Likhacheva A. Y., Goryainov S. V., Krylov A. S., Bul'bak T. A., Prasad PSR
Заглавие : Raman spectroscopy of natural cordierite at high water pressure up to 5?GPa
Место публикации : J. Raman Spectrosc.: Wiley-Blackwell, 2012. - Vol. 43, Is. 4. - P.559-563. - ISSN 0377-0486, DOI 10.1002/jrs.3060
Примечания : Cited References: 38. - We greatly appreciate the critical comments of Prof. R. Kaindl and an anonymous reviewer on this work, and we thank Dr G. Lepezin for providing the cordierite sample. This work was supported by RFBR grant 11-05-01121-a.
Предметные рубрики: SINGLE-CRYSTAL STRUCTURE
X-RAY
CHANNEL H2O
BEHAVIOR
SPECTRA
CO2
POLYMORPHISM
DIFFRACTION
CHEMISTRY
CAVITIES
Ключевые слова (''Своб.индексиров.''): cordierite--raman spectroscopy--high pressure--phase transition
Аннотация: The high-pressure behaviour of cordierite, a widespread ring aluminosilicate with channels incorporating fluid compounds (H2O, CO2), is characterized by the absence of phase transitions up to 2.5 GPa. However, the distortion of the ring tetrahedra observed previously at 2.3 GPa is supposed to introduce a phase transition at higher pressure, which has not been checked so far. This work presents a high-pressure Raman spectroscopic study of natural cordierite compressed in water medium up to 4.7 GPa in a diamond anvil cell. At P 4 GPa, a disordering of both the framework and intrachannel H2O subsystem is apparent from significant broadening of Raman peaks and the evolution of short-range order parameters. This is followed by abrupt shifts of the framework and O–H stretching modes at about 4.5 GPa, indicating a first-order phase transition. Its reversibility is seen from the recovery of the initial spectrum at P 3 GPa. The shift amplitudes of different framework modes indicate the predominance of distortion over contraction of the framework polyhedra upon this transition. The disordering of the H2O subsystem in the high-pressure phase is likely a consequence of distortion of the channel-forming framework elements, which is supposed to be a driving force of this transition. Copyright © 2011 John Wiley & Sons, Ltd.
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10.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Aleksandrov K. S.
Заглавие : Phase-transitions and distortions of the structure in the family of crystals related to alpha-k2so
Место публикации : Kristallografiya. - 1993. - Vol. 38, Is. 1. - P.128-139. - ISSN 0023-4761; Crystallogr. Rep.
Примечания : Cited References: 38
Предметные рубрики: X-RAY
EXPECTED STRUCTURES
A2BX4 COMPOUNDS
TEMPERATURE
(NH4)2BEF4
CHEMISTRY
DISORDER
SYMMETRY
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