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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Zhou, Jun, Rong, Ximing, Molokeev M. S., Wang, Yulong, Yun, Xiangyan, Xu, Denghui, Li, Xiong
Заглавие : Alloying Cs+ into Rb2ZrCl6:Te4+ toward highly efficient and stable perovskite variants
Коллективы : Beijing Natural Science FoundationBeijing Natural Science Foundation [2214068]; National Natural Science Foundation of ChinaNational Natural Science Foundation of China (NSFC) [61705003]; Beijing Technology and Business University Research Team Construction Project [PXM2019_014213_000007, PXM2020_014213_000017]
Место публикации : Mat. Chem. Front. - 2021. - Vol. 5, Is. 13. - P.4997-5003. - ISSN 2052-1537(eISSN), DOI 10.1039/d1qm00302j
Примечания : Cited References: 37. - This work is supported by Beijing Natural Science Foundation (No. 2214068), the National Natural Science Foundation of China (No. 61705003), and the Beijing Technology and Business University Research Team Construction Project (No. PXM2019_014213_000007 and PXM2020_014213_000017)
Предметные рубрики: TELLER
PHOTOLUMINESCENCE
TELLURIUM(IV)
COMPLEXES
PHOSPHORS
Аннотация: Doping or alloying in perovskites and perovskite variants provides a promising way for modulating the electronic and photoluminescence properties and the structural stability. In this work, a series of yellow-emitting Rb2−xCsxZrCl6:Te4+ solid solution phosphors were prepared by a hydrothermal method, and their broad emission is assigned to the triplet 3P1–1S0 self-trapped excitons (STEs). Upon increasing the alloying ion Cs+, the yellow emission can be greatly enhanced by a stronger Jahn–Teller distortion. Moreover, Cs2ZrCl6:Te4+ shows a high photoluminescence quantum yield (PLQY), and impressive thermal and anti-water stability. This doping–alloying strategy presents a new direction towards designing lead-free, high-performance and stable perovskite derivatives.
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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) : Perlepe, Panagiota, Oyarzabal, Itziar, Mailman, Aaron, Yquel, Morgane, Platunov M. S., Dovgaliuk, Iurii, Rouzieres, Mathieu, Negrier, Philippe, Mondieig, Denise, Suturina, Elizaveta A., Dourges, Marie-Anne, Bonhommeau, Sebastien, Musgrave, Rebecca A., Pedersen, Kasper S., Chernyshov, Dmitry, Wilhelm, Fabrice, Rogalev, Andrei, Mathoniere, Corine, Clerac, Rodolphe
Заглавие : Metal-organic magnets with large coercivity and ordering temperatures up to 242°C
Коллективы : University of Bordeaux; Region Nouvelle AquitaineRegion Nouvelle-Aquitaine; Quantum Matter Bordeaux; Centre National de la Recherche Scientifique (CNRS)Centre National de la Recherche Scientifique (CNRS); Basque GovernmentBasque Government; VILLUM FONDEN [15374]; Academy of FinlandAcademy of Finland [289172]
Место публикации : Science. - 2020. - Vol. 370, Is. 6516. - P.587-591. - ISSN 0036-8075, DOI 10.1126/science.abb3861. - ISSN 1095-9203(eISSN)
Примечания : Cited References: 42. - This work was supported by the University of Bordeaux, the Region Nouvelle Aquitaine, Quantum Matter Bordeaux, and the Centre National de la Recherche Scientifique (CNRS). I.O. and R.C. are grateful to the Basque Government for I.O.'s postdoctoral grant. K.S.P. thanks the VILLUM FONDEN for a Villum Young Investigator grant (15374). A.M. thanks JYU and the Academy of Finland (project 289172) for support
Предметные рубрики: ROOM-TEMPERATURE
CHROMIUM
FERROMAGNETISM
DIFFRACTION
COMPLEXES
Аннотация: Magnets derived from inorganic materials (e.g., oxides, rare-earth–based, and intermetallic compounds) are key components of modern technological applications. Despite considerable success in a broad range of applications, these inorganic magnets suffer several drawbacks, including energetically expensive fabrication, limited availability of certain constituent elements, high density, and poor scope for chemical tunability. A promising design strategy for next-generation magnets relies on the versatile coordination chemistry of abundant metal ions and inexpensive organic ligands. Following this approach, we report the general, simple, and efficient synthesis of lightweight, molecule-based magnets by postsynthetic reduction of preassembled coordination networks that incorporate chromium metal ions and pyrazine building blocks. The resulting metal-organic ferrimagnets feature critical temperatures up to 242°C and a 7500-oersted room-temperature coercivity.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Ma, Xiaozhou, Suturina, Elizaveta A., Rouzieres, Mathieu, Platunov M. S., Wilhelm, Fabrice, Rogalev, Andrei, Clerac, Rodolphe, Dechambenoit, Pierre
Заглавие : Using Redox-Active pi Bridging Ligand as a Control Switch of Intramolecular Magnetic Interactions
Коллективы : ANRFrench National Research Agency (ANR) [ANR-16-CE29-0001-01]; University of Bordeaux; Region Nouvelle Aquitaine; CNRSCentre National de la Recherche Scientifique (CNRS); MOLSPIN COST actionEuropean Cooperation in Science and Technology (COST) [CA15128]; Chinese Scholarship Council (CSC)China Scholarship Council; EPSRCEngineering & Physical Sciences Research Council (EPSRC) [EP/N006895/1]; IRIDIS High Performance Computing Facility; University of Southampton; RSC
Место публикации : J. Am. Chem. Soc. - 2019. - Vol. 141, Is. 19. - P.7721-7725. - ISSN 0002-7863, DOI 10.1021/jacs.9b03044
Примечания : Cited References: 38. - This work was supported by the ANR (ANR-16-CE29-0001-01, Active-Magnet project), the University of Bordeaux, the Region Nouvelle Aquitaine, the CNRS, the MOLSPIN COST action CA15128 and the Chinese Scholarship Council (CSC) for the PhD funding of X.M. E.A.S. thanks EPSRC for support (EP/N006895/1), the IRIDIS High Performance Computing Facility and associated services at the University of Southampton and RSC for travel grant. The authors thank also S. De, D. Woodruff, P. Perlepe, I. Oyarzabal, and S. Exiga for their assistance and fruitful discussions as well as the GdR MCM-2.
Предметные рубрики: GROUND-STATE
COMPLEXES
Аннотация: Intramolecular magnetic interactions in the dinuclear complexes [(tpy)Ni(tphz)Ni(tpy)]n+ (n = 4, 3, and 2; tpy, terpyridine; tphz, tetrapyridophenazine) were tailored by changing the oxidation state of the pyrazine-based bridging ligand. While its neutral form mediates a weak antiferromagnetic (AF) coupling between the two S = 1 Ni(II), its reduced form, tphz•–, promotes a remarkably large ferromagnetic exchange of +214(5) K with Ni(II) spins. Reducing twice the bridging ligand affords weak Ni–Ni interactions, in marked contrast to the Co(II) analogue. Those experimental results, supported by a careful examination of the involved orbitals, provide a clear understanding of the factors which govern strength and sign of the magnetic exchange through an aromatic bridging ligand, a prerequisite for the rational design of strongly coupled molecular systems and high TC molecule-based magnets.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Golovnev N. N., Molokeev M. S., Sterkhova I. V., Lesnikov M. K.
Заглавие : Structure of Barbituratobis(2,2'-Dipyridyl)copper(II) Heptahydrate
Коллективы : Ministry of Education and Science of the Russian Federation [4.7666.2017/BCh]
Место публикации : Russ. J. Coord. Chem. - 2019. - Vol. 45, Is. 8. - P.569-572. - ISSN 1070-3284, DOI 10.1134/S1070328419080037. - ISSN 1608-3318(eISSN)
Примечания : 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).
Предметные рубрики: IONIC CO-CRYSTALS
BARBITURIC-ACID
COMPLEXES
STATE
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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Kononova O. N., Duba E. V., Medovikov D. V., Krylov A. S.
Заглавие : Ion-exchange sorption of palladium(II) from hydrochloric acid solutions in the presence of silver(I)
Место публикации : Russ. J. Phys. Chem. A. - 2018. - Vol. 92, Is. 10. - P.2053-2059. - ISSN 0036-0244, DOI 10.1134/S0036024418100138. - ISSN 1531-863X(eISSN)
Примечания : Cited References: 36
Предметные рубрики: PLATINUM-GROUP METALS
RECOVERY
COMPLEXES
CHLORIDE
PD(II)
Ключевые слова (''Своб.индексиров.''): palladium--silver--hydrochloric acid solutions--sorption--sorptive extraction
Аннотация: The sorptive extraction of palladium(II) chloride complexes in the presence of silver(I) chloride complexes from 2 and 4 M aqueous solutions of HCl with a series of Purolite anionites with different functional groups is studied. An anion exchange mechanism of sorption is identified from Raman spectroscopy data. Kinetic properties that are inherent to the investigated ionites and allow the elution of palladium(II) and silver(I) after their extraction in a dynamic mode are revealed.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Golovnev N. N., Molokeev M. S., Lesnikov M. K., Vereshchagin S. N.
Заглавие : Polymeric lithium(I) diaquabarbiturate: Crystal structure
Коллективы : Ministry of Education and Science of the Russian Federation [3049]
Место публикации : Russ. J. Inorg. Chem.: MAIK Nauka-Interperiodica / Springer, 2017. - Vol. 62, Is. 6. - P.746-750. - ISSN 0036-0236, DOI 10.1134/S0036023617060092. - ISSN 1531-8613(eISSN)
Примечания : Cited References:23. - This work was performed in the Siberian Federal University within the State task of the Ministry of Education and Science of the Russian Federation for the period of 2014-2016 (project no. 3049).
Предметные рубрики: IONIC CO-CRYSTALS
BARBITURIC-ACID
COMPLEXES
NA
LI
Аннотация: The lithium(I) catena-diaquabarbiturate complex [Li(H2O)2(HBA–O,O′)]n (I), where Н2ВА is barbituric acid, has been structurally characterized by X-ray diffraction (CIF file CCDC no. 1447689), and its thermal decomposition and IR spectrum have been studied. Crystals of complex I are monoclinic, a = 6.4306(7) Å, b = 16.720(1) Å, c = 7.1732(8) Å, β = 108.253(4)°, V = 732.5(1) Å3, space group P21/c, and Z = 4. One independent μ2-bridging HBA– ligand is coordinated to two Li(I) ions via the two oxygen atoms of C4(6)=O carbonyl groups. Each Li+ ion is linked with two μ2-HBA– ions and two terminal water molecules at tetrahedron vertices. μ2-HBA– ions link tetrahedra into a chain. The structure is stabilized by multiple hydrogen bonds and π–π-interaction between HBA–. The shift of ν(C=O) vibration bands in the IR spectrum of complex I in comparison with Н2ВА towards lower frequencies agrees with the coordination of HBA– via oxygen atoms. The dehydration of complex I occurs in two stages in the regions of 100–150 and 150–240°C.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Golovnev N. N., Molokeev M. S., Sterkhova, Irina V., Atuchin V. V., Sidorenko, Maxim Y.
Заглавие : Hydrates [Na2(H2O)x](2-thiobarbiturate)2 (x = 3, 4, 5): crystal structure, spectroscopic and thermal properties
Коллективы : Ministry of Education and Science of the Russian Federation [3049]
Место публикации : J. Coord. Chem.: Taylor & Francis, 2016. - Vol. 69, Is. 21. - P.3219-3230. - ISSN 0095-8972, DOI 10.1080/00958972.2016.1228914. - ISSN 1029-0389(eISSN)
Примечания : 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].
Предметные рубрики: 2-THIOBARBITURIC ACID
COMPLEXES
1,3-DIETHYL-2-THIOBARBITURATE
TRANSFORMATION
CESIUM
Na
Li
Ключевые слова (''Своб.индексиров.''): 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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Mikhlin Y. L., Vorobyev S., Saikova S. V., Tomashevich Y., Fetisova O., Kozlova S., Zharkov S. M.
Заглавие : Preparation and characterization of colloidal copper xanthate nanoparticles
Коллективы : Russian Science Foundation [14-17-00280]
Место публикации : New J. Chem.: Royal Society of Chemistry, 2016. - Vol. 40, Is. 4. - P.3059-3065. - ISSN 1144-0546, DOI 10.1039/c6nj00098c. - ISSN 1369-9261(eISSN)
Примечания : Cited References:50. - This research was supported by the Russian Science Foundation grant 14-17-00280. We thank Dr Roberto Felix Duarte (HZB) and bilateral program "German-Russian laboratory at BESSY II" for assistance with the X-ray absorption experiments.
Предметные рубрики: X-ray-absorption
Self-assembled monolayers
Sulfide nanoparticles
Electronic-structure
Waste-water
Complexes
Flotation
Spectroscopy
Adsorption
Oxidation
Аннотация: Despite the important role of metal xanthates in a number of industrial processes and emerging applications, no attempts have been made to prepare the metal xanthate nanoparticles and to study colloidal solutions of insoluble heavy metal xanthates. Here, we examined the formation of colloidal copper xanthate particles during the reactions of aqueous solutions of cupric sulfate and various potassium xanthates, which occur in flotation and water treatment slurries and can be used to manufacture nanoparticles for materials science (e.g., as precursors for copper sulfide nanoparticles and biomedicine). The products were characterized using UV-vis absorption, dynamic light scattering, zeta potential measurements, transmission electron microscopy (TEM), electron diffraction, Fourier transform infrared spectroscopy, thermogravimetry, X-ray photoelectron spectroscopy, and X-ray absorption spectroscopy (XANES). Colloidal copper xanthates with compositions of ROCSSCu (R = ethyl, isopropyl, butyl, isobutyl, and amyl groups), disordered structures and average diameters of 20–80 nm easily formed and aggregated and were stable for at least several hours, especially if excessive xanthate was used. The hydrodynamic diameters of the nanoparticles were smaller at lower temperatures. Dixanthogens, which were produced in the reactions along with ROCSSCu, seemed to promote nanoparticle aggregation and precipitated with the copper xanthate, affecting their thermal decomposition. The TEM micrographs and S K- and Cu K-edge XANES spectra revealed core/shell particle morphologies, likely with Cu(I) bonded to four S atoms in the core and reduced copper coordination in the shell.
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10.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Golovnev N. N., Molokeev M. S., Samoilo A. S., Atuchin V. V.
Заглавие : 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+
Место публикации : J. Coord. Chem.: Taylor & Francis, 2016. - Vol. 69, Is. 6. - P.957-965. - ISSN 00958972 (ISSN), DOI 10.1080/00958972.2016.1149168
Примечания : 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.
Предметные рубрики: CRYSTAL-STRUCTURE
2-THIOBARBITURIC ACID
STRUCTURAL-CHARACTERIZATION
THIOBARBITURIC ACID
THERMAL-PROPERTIES
HYDROGEN-BOND
COMPLEXES
DIFFRACTION
NETWORKS
POLYMERS
Ключевые слова (''Своб.индексиров.''): 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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