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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) : 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) : 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) : Avramov P. V., Yakobson B. I., Scuseria G. E.
Заглавие : Mechanisms of inelastic scattering of low-energy protons by C6H6, C-60, C6F12, and C60F48 molecules
Разночтения заглавия :авие SCOPUS: Mechanisms of inelastic scattering of low-energy protons by C 6H6, C60, C6F12, and C60F48 molecules
Место публикации : Phys. Solid State: SPRINGER, 2006. - Vol. 48, Is. 1. - P177-184. - ISSN 1063-7834, DOI 10.1134/S106378340601032X
Примечания : Cited References: 23
Предметные рубрики: DYNAMICS SIMULATIONS
FULLERENES
COMPLEXES
BUCKMINSTERFULLERENE
HELIUM
ATOMS
Аннотация: The mechanisms of inelastic scattering of low-energy protons with a kinetic energy of 2-7 eV by C6H6, C6F12, C-60, and C60F48 molecules are studied using the methods of quantum chemistry and nonempirical molecular dynamics. It is shown that, for the C6H6 + proton and C-60 + proton systems, starting from a distance of 6 angstrom from the carbon skeleton, the electronic charge transfer from the aromatic molecule to H+ occurs with a probability close to unity and transforms the H+ ion into a hydrogen atom and the neutral C6H6 and C-60 molecules into cation radicals. The mechanism of interaction of low-energy protons with C6F12 and C60F48 molecules has a substantially different character and can be considered qualitatively as the interaction between a neutral molecule and a point charge. The Coulomb perturbation of the system arising from the interaction of the noncompensated proton charge with the Mulliken charges of fluorine atoms results in an inversion of the energies of the electronic states localized, on the one hand, on the positively charged hydrogen ion and, on the other hand, on the C6F12 and C60F48 molecules. As a result, the neutral molecule + proton state becomes the ground state. In turn, this inversion makes the electronic charge transfer energetically unfavorable. Quantum-chemical and molecular-dynamics calculations on different levels of theory showed that, for fluorine derivatives of some aromatic structures (C6F12, C60F48), the barriers to proton penetration through carbon hexagons are two to four times lower than for the corresponding parent systems (C6H6, C-60). This effect is explained by the absence of active pi-electrons in the case of fluorinated molecules.
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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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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) : 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) : 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) : Flerov I. N., Gorev M. V., Fokina V. D., Bovina A. F., Bogdanov E. V., Pogoreltsev E. I., Laptash N. M.
Заглавие : Disorder and phase transitions in oxyfluoride (NH4)(3)Ta(O-2)(2)F-4
Место публикации : J. Fluor. Chem. - 2011. - Vol. 132, Is. 10. - P.713-718. - ISSN 0022-1139, DOI 10.1016/j.jfluchem.2011.05.012
Примечания : Cited Reference Count: 19. - Гранты: This work was supported by the Council on Grants from the President of the Russian Federation for the Support of Leading Scientific Schools of the Russian Federation (NSh-4645.2010.2).Финансирующая организация: Council on Grants from the President of the Russian Federation for the Support of Leading Scientific Schools of the Russian Federation [NSh-4645.2010.2]
Предметные рубрики: HEAT-CAPACITY
COMPLEXES
RB2KTIOF5
FLUORIDES
CRYOLITE
Ключевые слова (''Своб.индексиров.''): cubic oxyfluorides--structural disorder--phase transitions--entropy--permittivity--pressure effect--cubic oxyfluorides--entropy--permittivity--phase transitions--pressure effect--structural disorder
Аннотация: Calorimetric, X-ray, dielectric and DTA under pressure measurements have been performed on oxyfluoride (NH4)(3)Ta(O-2)(2)F-4. The succession of nonferroelectric phase transitions was found associated with the order-disorder processes. The comparative analysis tantalate with related niobate has revealed the important role of the central atom in the physical properties behavior, mechanism of structural distortions and barocaloric effect in oxyfluorides with the eight-coordinated anionic polyhedra. (C) 2011 Elsevier By. All rights reserved.
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10.

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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