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Arkhipkin, V. G.
2-photon-resonance and 3-photon-resonance displacement of frequencies and interference of quantum transitions / V. G. Arkhipkin // Zhurnal Eksperimentalnoi Teor. Fiz. - 1995. - Vol. 108, Is. 1. - P. 45-52. - Cited References: 16 . - ISSN 0044-4510

РУБ Physics, Multidisciplinary
Рубрики:
ELECTROMAGNETICALLY INDUCED TRANSPARENCY
ATOMIC-HYDROGEN
GENERATION

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Доп.точки доступа:
Архипкин, Василий Григорьевич
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Fedorov, A. S.
Ab initio study of hydrogen chemical adsorption on platinum surface/carbon nanotube join system / A. S. Fedorov, P. B. Sorokin, A. A. Kuzubov // Phys. Status Solidi B. - 2008. - Vol. 245, Is. 8. - P. 1546-1551, DOI 10.1002/pssb.200844155. - Cited References: 31 . - ISSN 0370-1972

РУБ Physics, Condensed Matter
Рубрики:
WALLED CARBON NANOTUBES
   MOLECULAR-DYNAMICS
   ROOM-TEMPERATURE
   STORAGE
   ENERGY
   THERMODYNAMICS
   GRAPHITE
   DENSITY
   POINTS
Аннотация: The process of hydrogen chemical adsorption on platinum cluster/single wall carbon nanotube (CNT) join surfaces is modelled at various temperatures and pressures. For that, the adsorption energy of hydrogen atoms on surfaces of both platinum (111) plate and CNT (5,5) or (8,8) types is calculated by density functional theory with the PBE approximation. At various temperatures the hydrogen atom hopping rate on both platinum and CNT surfaces is calculated by the transition state theory. Furthermore the hydrogen hopping rate from the platinum surface to the attached nanotube is obtained by calculation of the total energy profile. It is proved that hydrogen atoms can migrate easily at the platinum surface at all temperatures, but at the CNT surface they can migrate beginning at 400-500 K. By calculation of chemical potentials of hydrogen in gas or on CNT or platinum cluster surfaces the equilibrium density of adsorbed hydrogen was calculated at different temperatures and pressures. It is established that for all temperatures in the range 300-900 K and for all pressures less than 500 bar, the hydrogen is dissociated and chemically adsorbed on the platinum surface very effectively, but surface site occupation by hydrogen on attached CNT surface is rather small. But if CNT vacancies are present in the tube structure and the temperature is lower then 450 K, hydrogen atoms can be adsorbed effectively enough on these vacancies. (C) 2008 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

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Держатели документа:
[Fedorov, Alexander S.
Sorokin, Pavel B.
Kuzubov, Alexander A.] LV Kirenskii Inst Phys, Krasnoyarsk 660036, Russia
[Fedorov, Alexander S.] Moscow Railroad Transport Engn Inst, Krasnoyarsk 660028, Russia
[Sorokin, Pavel B.
Kuzubov, Alexander A.] Siberian Fed Univ, Krasnoyarsk 660041, Russia
ИФ СО РАН
Kirensky Institute of Physics, Akademgorodok, 660036 Krasnoyarsk, Russian Federation
Railroad Transport Institute, 660028 Krasnoyarsk, Russian Federation
Siberian Federal University, 79 Svobodniy av, 660041 Krasnoyarsk, Russian Federation

Доп.точки доступа:
Sorokin, P. B.; Kuzubov, A. A.; Кузубов, Александр Александрович; Федоров, Александр Семенович
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Ab-initio investigation of hydrogen absorption by magnesium nanoparticles [Text] / A. S. Fedorov, G. N1. Churilov [et al.] // Carbon Nanomaterials in Clean-Energy Hydrogen Systems : Proceedings of the NATO Advanced Research Workshop on Using Carbon Nanomaterials in Clean-Energy Hydrogen Systems Sudak, Crimea, Ukraine 22–28 September 2007 / red. Baranowski, B.; Zaginaichenko, S.; Schur, D.; Skorokhod, V.; Veziroglu, A. : Springer, 2008. - P603-610. - (SNATO Science for Peace and Security Series Subseries: NATO Science for Peace and Security Series C: Environmental Security), DOI 10.1007/978-1-4020-8898-8_75 . - ISBN 1874-6519

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Доп.точки доступа:
Fedorov, A. S.; Федоров, Александр Семенович; Churilov, G. N.; Чурилов, Григорий Николаевич; Kuzubov, A.A.; Serjantova, M.V.; "Carbon Nanomaterials in Clean-Energy Hydrogen Systems", national conference(2008 ; Sep. ; 22-28 ; Sudak, Crimea)
}
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Ab-initio investigation of thermoactivated directional transport of hydrogen molecules inside narrow carbon nanotubes / A. S. Fedorov, A. F. Sadreev // Physica status solidi B - Basic Solid State Physics. - 2009. - Т. 246, № 11-12. - P. 2598-2601, DOI 10.1002/pssb.200982285 . - ISSN 0370-1972. - ISSN 1521-3951

ГРНТИ

РИНЦ
Держатели документа:
Kirensky Institute of Physics,Siberian Division,Russian Academy of Sciences
Krasnoyarsk Railway Transport Institute
Доп.точки доступа:
Fedorov, A. S.; Федоров, Александр Семенович; Sadreev, A. F.; Садреев, Алмаз Фаттахович
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Fedorov, A. S.
Ab-initio investigation of thermoactivated directional transport of hydrogen molecules inside narrow carbon nanotubes / A. S. Fedorov, A. F. Sadreev // Phys. Status Solidi B. - 2009. - Vol. 246: 23rd Winterschool on Electronic Properties of Novel Materials (MAR 14, 2009, Kirchberg, GERMANY), Is. 11. - P. 2598-2601, DOI 10.1002/pssb.200982285. - Cited References: 21. - A.S.Fedorov thanks the Institute of Computer Modeling (Krasnoyarsk, Russia) and the Joint Supercomputer Center (Moscow) for an assistence in quantum chemical calculations. . - ISSN 0370-1972

РУБ Physics, Condensed Matter
Рубрики:
DIFFUSION
ENERGY
Аннотация: Using the pseudopotential DFT and the empirical potential methods we calculate the potential acting to the hydrogen molecules in narrow single-wall carbon nanotubes (SWCNT) (6,0),(7,0) and (3,3). The potential forms a goffered potential surface and can be approximated as V(z, r, phi) approximate to V(0) sin(2 pi z/a) + V(r). We show that in these SWCNTs transport of molecules is given mainly by thermoactivated hoppings between minima of the periodic potential along the tube axis. Taking into account that hydrogen density distribution inside nanotube is stationary and assuming the temperature is changed linearly along the SWCNT length we show that the H(2) density is sufficiently variated, especially for the case of (6,0)SWCNT where the density on both SWCNT ends are different at similar to 30 times when the temperature is changed along the SWCNT from 300K to 1200K. Suppose that H2 molecules can penetrate in the both open SWCNT ends, the molecules would move in the direction of the temperature decreasing. This effect may be used potentially to build up a molecular pump driven by the temperature gradient along narrow nanotube. (C) 2009 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim

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Держатели документа:
[Fedorov, A. S.
Sadreev, A. F.] Russian Acad Sci, LV Kirensky Phys Inst, Siberian Div, Krasnoyarsk 660036, Russia
[Fedorov, A. S.] Krasnoyarsk Railway Transport Inst, Krasnoyarsk 660028, Russia
ИФ СО РАН
Kirensky Institute of Physics, Siberian Division, Russian Academy of Sciences, Akademgorodok, 660036 Krasnoyarsk, Russian Federation
Krasnoyarsk Railway Transport Institute, 660028 Krasnoyarsk, Russian Federation

Доп.точки доступа:
Sadreev, A. F.; Садреев, Алмаз Фаттахович; Федоров, Александр Семенович
}
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Ab-initio study of hydrogen chemical adsorption on the platinum surface/carbon nanotube join system [Text] / A. S. Fedorov, P. B. Sorokin, A. A. Kuzubov // Physica status solidi B - Basic Solid State Physics. - 2008. - Vol. 245, № 8. - P1546-1551

Доп.точки доступа:
Fedorov, A.S.; Sorokin, P.B.; Kuzubov, A. A.
Свободных экз. нет}
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Fedorov, A. S.
Analysis of hydrogen adsorption in the bulk and on the surface of magnesium nanoparticles / A. S. Fedorov, M. V. Serzhantova, A. A. Kuzubov // J. Exp. Theor. Phys. - 2008. - Vol. 107, Is. 1. - P. 126-132, DOI 10.1134/S1063776108070121. - Cited References: 15. - This study was supported financially by the Russian Foundation for Basic Research ( project no. 06-02-16132). The authors are also grateful to the Institute of Computer Modeling of the Siberian Branch of the Russian Academy of Science for providing a cluster computer on which all quantum-chemistry calculations were performed. . - ISSN 1063-7761

РУБ Physics, Multidisciplinary
Рубрики:
MOLECULAR-DYNAMICS
TRANSITION
METALS
Кл.слова (ненормированные):
Adsorption -- Gas adsorption -- Hydrogen -- Light metals -- Magnesium -- Nonmetals -- Hydrogen adsorption -- Magnesium hydrides -- Magnesium printing plates
Аннотация: The stability of magnesium hydride (MgH (x) ) nanoparticles (x = 0.5,...,2) is investigated using ab initio calculations. It is shown that for a nanoparticle diameter of D similar to 5 nm, the internal pressure becomes lower than 3 kbar; for this reason, the structure of hydride nanoparticles coincides with the structure of this hydride in crystalline form. It is found that the phase of partly saturated MgH (x) hydrides (x < 2) must decompose into the phase of pure hcp magnesium and the alpha phase of MgH(2). The frequencies of jumps of hydrogen atoms within the hcp phase of magnesium and in the alpha phase of MgH(2) are calculated; it is shown that slow diffusion of hydrogen in magnesium is due to the large height of potential barriers for motion of hydrogen within MgH(2). To attain high diffusion rates, the structures of Mg(53)Sc and Mg(53)Ti crystals and their hydrides are calculated. It is found that the frequency of jumps of H atoms in Mg(53)ScH(108) near the Sc atoms does not noticeably change as compared to the frequency of jumps in the alpha phase of MgH(2), while the frequency of jumps in Mg(53)TiH(108) near Ti atoms is higher by approximately a factor of 2.5 x 10(6). This means that diffusion in manganese hydride with small admixtures of titanium atoms must be considerably eased. Chemical dissociation of hydrogen molecules on the (0001) surface of hcp magnesium, on the given surface with adjoined individual Ti atoms, and on the surface of a one-layer titanium cluster on the given surface of magnesium is investigated. It is found that dissociation of hydrogen at solitary titanium atoms, as well as on the surface of a Ti cluster, is facilitated to a considerable extent as compared to pure magnesium. This should also sharply increase the hydrogen adsorption rate in magnesium nanoparticles.

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Держатели документа:
[Fedorov, A. S.
Kuzubov, A. A.] Russian Acad Sci, Siberian Branch, Kirenskii Inst Phys, Krasnoyarsk 660036, Russia
[Serzhantova, M. V.
Kuzubov, A. A.] Siberian Fed Univ, Krasnoyarsk 660028, Russia
ИФ СО РАН
Kirenskii Institute of Physics, Siberian Branch, Russian Academy of Sciences, Akademgorodok, Krasnoyarsk, 660036, Russian Federation
Siberian Federal University, Akademgorodok, Krasnoyarsk, 660028, Russian Federation

Доп.точки доступа:
Serzhantova, M. V.; Kuzubov, A. A.; Кузубов, Александр Александрович; Федоров, Александр Семенович
}
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Anisotropy of piezocaloric effect at ferroelectric phase transitions in ammonium hydrogen sulphate / E. A. Mikhaleva, M. V. Gorev, M. S. Molokeev [et al.] // J. Alloys Compd. - 2020. - Vol. 839. - Ст. 155085, DOI 10.1016/j.jallcom.2020.155085. - Cited References: 31. - The reported study was supported by the Russian Science Foundation (project no. 19-72-00023 ). X-ray and dilatometric data were obtained using the equipment of Krasnoyarsk Regional Center of Research Equipment of Federal Research Center "Krasnoyarsk Science Center SB RAS" . - ISSN 0925-8388
Кл.слова (ненормированные):
Piezocaloric effect -- Phase transition -- Ferroelectrics -- Thermal expansion -- High-pressure -- Entropy
Аннотация: The role of anisotropy of the thermal expansion in formation of piezocaloric effect (PCE) near ferroelectric phase transitions in NH4HSO4 was studied. Strong difference in linear baric coefficients and as a result in intensive and extensive PCE associated with the different crystallographic axes was found. PCE giving the main contribution to the barocaloric effect were determined at both phase transitions. Rather strong effect of the lattice dilatation on the tuning of PCE was observed. Comparative analysis of PCE at the phase transitions in different materials showed that NH4HSO4 can be considered as a promising solid-state refrigerant. A hypothetical cooling cycle based on alternate using uniaxial pressure along two axes was considered.

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Держатели документа:
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation
Institute of Engineering Physics and Radioelectronics, Siberian Federal University, Krasnoyarsk, 660074, Russian Federation
Department of Physics, Far Eastern State Transport University, Khabarovsk, 680021, Russian Federation
Astafijev Krasnoyarsk State Pedagogical University, Krasnoyarsk, 660049, Russian Federation

Доп.точки доступа:
Mikhaleva, E. A.; Михалева, Екатерина Андреевна; Gorev, M. V.; Горев, Михаил Васильевич; Molokeev, M. S.; Молокеев, Максим Сергеевич; Kartashev, A. V.; Карташев, Андрей Васильевич; Flerov, I. N.; Флёров, Игорь Николаевич
}
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Anisotropy of piezocaloric effect at ferroelectric phase transitions in ammonium hydrogen sulphate / E. V. Bogdanov, I. N. Flerov // E-MRS fall meeting : conference programme. - 2019. - Ст. E.P.4. - This work was supported by the Russian Science Foundation (RSF) grant (No. 19-72-00023)

Материалы конференции
Держатели документа:
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, 660036 Krasnoyarsk, Russia
Siberian Federal University, 660074 Krasnoyarsk, Russia
Far Eastern State Transport University, Khabarovsk, Russia 680021
Astafijev Krasnoyarsk State Pedagogical University, 660049 Krasnoyarsk, Russia

Доп.точки доступа:
Mikhaleva, E. A.; Михалева, Екатерина Андреевна; Gorev, M. V.; Горев, Михаил Васильевич; Molokeev, M. S.; Молокеев, Максим Сергеевич; Kartashev, A. V.; Карташев, Андрей Васильевич; Flerov, I. N.; Флёров, Игорь Николаевич; Fall Meeting, European Materials Research Society(2019 ; Sept. ; 16-19 ; Warsaw, Poland); European Materials Research Society; Warsaw University of Technology
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10.

Golovnev, N.
Bridging behaviour of the 2-thiobarbiturate anion in its complexes with LiI and NaI / N. Golovnev, M. Molokeev // Acta Crystallographica Section C Crystal Structure Communications. - 2013. - Vol. 69, Pt. 7. - P. 704-708, DOI 10.1107/S0108270113014078 . - ISSN 0108-2701
Кл.слова (ненормированные):
2-thiobarbituric acid -- Coordinated water -- Dihydrates -- Edge sharing -- Hydrogen bonding interactions -- Three-dimensional networks -- Atoms -- Complex networks -- Hydrogen bonds -- Ligands -- Negative ions -- Positive ions -- Three dimensional -- Lithium
Аннотация: The structures of the LiI and NaI salts of 2-thiobarbituric acid (2-sulfanylidene-1-3-diazinane-4,6-dione, H 2TBA) have been studied. μ-Aqua-octaaquabis(μ-2- thiobarbiturato-κ2 O:O′)bis(2-thiobarbiturato-κO) tetralithium(I) dihydrate, [Li4(C4H3N 2O2S)4(H2O)9]·2H 2O, (I), crystallizes with four symmetry-independent four-coordinated LiI cations and four independent HTBA- anions. The structure contains two structurally non-equivalent LiI cations and two non-equivalent HTBA- anions (bridging and terminal). Eight of the coordinated water ligands are terminal and the ninth acts as a bridge between LiI cations. Discrete [Li4(HTBA)4(H2O)9] ·2H2O complexes form two-dimensional layers. Neighbouring layers are connected via hydrogen-bonding interactions, resulting in a three-dimensional network. Poly[μ2-aqua-tetraaqua(μ4-2- thiobarbiturato-κ4 O:O:S:S)(μ2-thiobarbiturato- κ2 O:S)disodium(I)], [Na2(C4H 3N2O2S)2(H2O) 5] n , (II), crystallizes with six-coordinated NaI cations. The octahedra are pairwise connected through edge-sharing by a water O atom and an O atom from the μ4-HTBA- ligand, and these pairs are further top-shared by the S atoms to form continuous chains along the a direction. Two independent HTBA- ligands integrate the chains to give a three-dimensional network. © 2013 International Union of Crystallography.

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Держатели документа:
Siberian State Univ, Krasnoyarsk 660041, Russia
Russian Acad Sci, Siberian Branch, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia

Доп.точки доступа:
Molokeev, M. S.; Молокеев, Максим Сергеевич
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11.

Broadband Tamm plasmons in chirped photonic crystals for light-induced water splitting / M. V. Pyatnov, R. G. Bikbaev, I. V. Timofeev [et al.] // Nanomaterials. - 2022. - Vol. 12, Is. 6. - Ст. 928, DOI 10.3390/nano12060928. - Cited References: 41 . - ISSN 2079-4991
Кл.слова (ненормированные):
water splitting -- plasmon catalysis -- solar-to-hydrogen efficiency -- photocurrent
Аннотация: An electrode of a light-induced cell for water splitting based on a broadband Tamm plasmon polariton localized at the interface between a thin TiN layer and a chirped photonic crystal has been developed. To facilitate the injection of hot electrons from the metal layer by decreasing the Schottky barrier, a thin n-Si film is embedded between the metal layer and multilayer mirror. The chipping of a multilayer mirror provides a large band gap and, as a result, leads to an increase in the integral absorption from 52 to 60 percent in the wavelength range from 700 to 1400 nm. It was shown that the photoresponsivity of the device is 32.1 mA/W, and solar to hydrogen efficiency is 3.95%.

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Держатели документа:
Kirensky Institute of Physics, Krasnoyarsk Scientific Center, Siberian Branch, Russian Academy of Sciences, Krasnoyarsk, 660036, Russian Federation
Siberian Federal University, Krasnoyarsk, 660041, Russian Federation
Institute of Computer Modelling, Krasnoyarsk Scientific Center, Siberian Branch, Russian Academy of Sciences, Krasnoyarsk, 660036, Russian Federation

Доп.точки доступа:
Pyatnov, M. V.; Пятнов, Максим Владимирович; Bikbaev, R. G.; Бикбаев, Рашид Гельмединович; Timofeev, I. V.; Тимофеев, Иван Владимирович; Ryzhkov, I. I.; Vetrov, S. Ya.; Ветров, Степан Яковлевич; Shabanov, V. F.; Шабанов, Василий Филиппович
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12.

Calculation of the energy of binding of titanium and scandium complexes to the surface of carbon nanotubes / A. A. Kuzubov [et al.] // Russ. J. Phys. Chem. B. - 2009. - Vol. 3, Is. 4. - P. 679-683, DOI 10.1134/S1990793109040289. - Cited References: 27. - This work was supported by the analytical departmental program "Development of Higher Education Potential (2009-2100)" (grant 2.1.1/2584) and by the Russian Foundation for Basic Research, project no. 09-02-00324-a. . - ISSN 1990-7931

РУБ Physics, Atomic, Molecular & Chemical
Рубрики:
MOLECULAR-HYDROGEN COMPLEXES
   STORAGE
   TEMPERATURE
   TRANSITION
   DYNAMICS
   METALS
Аннотация: Complexes of zigzag-type carbon nanotubes (CNTs) with transition metal atoms, scandium and titanium, were studied. It was demonstrated that the energy of binding of both atoms with a carbon surface decreases whereas the rate of diffusion along the surface increases with increasing nanotube diameter. The rate constant of migration of scandium atoms over a CNT surface are several orders of magnitude higher than that for titanium atoms, because the CNT surface-Sc atom binding energy is substantially lower.

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Держатели документа:
Institute of Natural and Humanitarian Sciences, Siberian Federal University, Krasnoyarsk 660041, Russian Federation
Kirenskii Institute of Physics, Siberian Division, Russian Academy of Sciences, Akademgorodok, Krasnoyarsk 660036, Russian Federation
Siberian State Technological University, Krasnoyarsk 660049, Russian Federation

Доп.точки доступа:
Kuzubov, A. A.; Кузубов, Александр Александрович; Krasnov, P. O.; Краснов, Павел Олегович; Kozhevnikov, T. A.; Popov, M. A.; Analytical departmental program "Development of Higher Education Potential" [2.1.1/2584]; Russian Foundation for Basic Research [09-02-00324-a]
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13.

    Cell growth and accumulation of polyhydroxyalkanoates from CO2 and H2 of a hydrogen-oxidizing bacterium, Cupriavidus eutrophus B-10646 / T. G. Volova [et al.] // Bioresource Technol. - 2013. - Vol. 146. - P. 215-222, DOI 10.1016/j.biortech.2013.07.070 . - ISSN 0960-8524
   Перевод заглавия: Рост клеток и накопление полигидроксиалканоатов из CO2 и H2 водород-окисляющими бактериями, Cupriavidus eutrophus B-10646
Кл.слова (ненормированные):
Autotrophic synthesis -- Cupriavidus eutrophus -- Polyhydroxyalkanoates
Аннотация: Synthesis of polyhydroxyalkanoates (PHAs) by a new strain of Cupriavidus - Cupriavidus eutrophus B-10646 - was investigated under autotrophic growth conditions. Under chemostat, at the specific flow rate D=0.1h-1, on sole carbon substrate (CO2), with nitrogen, sulfur, phosphorus, potassium, and manganese used as growth limiting elements, the highest poly(3-hydroxybutyrate) [P(3HB)] yields were obtained under nitrogen deficiency. In batch autotrophic culture, in the fermenter with oxygen mass transfer coefficient 0.460h-1, P(3HB) yields reached 85% of dry cell weight (DCW) and DCW reached 50g/l. Concentrations of supplementary PHA precursor substrates (valerate, hexanoate, ?-butyrolactone) and culture conditions were varied to produce, for the first time under autotrophic growth conditions, PHA ter- and tetra-polymers with widely varying major fractions of 3-hydroxybutyrate, 4-hydroxybutyrate, 3-hydroxyvalerate, and 3-hydroxyhexanoate monomer units. Investigation of the high-purity PHA specimens showed significant differences in their physicochemical and physicomechanical properties. В© 2013 Elsevier Ltd.

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Держатели документа:
Russian Acad Sci, Inst Biophys, Siberian Branch, Krasnoyarsk 660036, Russia
Siberian Fed Univ, Krasnoyarsk, Russia
Russian Acad Sci, Siberian Branch, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia
Russian Acad Sci, Siberian Branch, Inst Chem & Chem Technol, Krasnoyarsk 660036, Russia;

Доп.точки доступа:
Volova, T. G.; Волова, Татьяна Григорьевна; Kiselev, E. G.; Киселев, Евгений Геннадьевич; Shishatskaya, E. I.; Шишацкая, Екатерина Игоревна; Zhila, N. O.; Жила, Наталья Олеговна; Boyandin, A. N.; Бояндин, Анатолий Николаевич; Syrvacheva, D. A.; Vinogradova, O. N.; Kalacheva, G. S.; Калачева, Галина Сергеевна; Vasiliev, A. D.; Васильев, Александр Дмитриевич; Peterson, I. V.; Петерсон, Иван Викторович
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14.

Chemical exchange in NH4HSeO4 single crystals studied by two-dimensional H-2 nuclear magnetic resonance / Y. N. Ivanov [et al.] // J. Phys.: Condens. Matter. - 1999. - Vol. 11, Is. 18. - P. 3751-3760, DOI 10.1088/0953-8984/11/18/310. - Cited References: 16 . - ISSN 0953-8984

РУБ Physics, Condensed Matter
Рубрики:
PHASE-TRANSITIONS
CONDUCTIVITY PROCESSES
AMMONIUM
Кл.слова (ненормированные):
Hydrogen bonds -- Nuclear magnetic resonance -- Single crystals -- Thermal effects -- Ammonium hydrogen selenate -- Ammonium compounds
Аннотация: Processes of chemical exchange of deuterons in partially deuterated ammonium hydrogen selenate, NH4HSeO4 (AHSe), crystals are investigated by means of H-2 nuclear magnetic resonance (NMR) experiments over a wide temperature range. The temperature dependencies of the quadrupole line splittings in the one-dimensional spectra of AHSe above 350 K revealed lineshape changes which are characteristic for chemical exchange processes. A detailed study of these exchange processes in AHSe is achieved by means of two-dimensional H-2 NMR experiments. In the temperature range investigated, a chemical exchange occurs only between those deuteron (proton) sites which are involved in hydrogen bonds (alpha- and beta-positions). It was established that the rates of exchange between all types of hydrogen-bound deuteron are approximately the same. Exchange between these positions and the deuterons in the ND4 groups could not be detected. On the basis of our findings, we finally discuss a model for the microscopic mechanism of hydrogen transport in AHSe.

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Держатели документа:
LV Kirensky Phys Inst, Siberian Branch, Krasnoyarsk 660036, Russia
Univ Leipzig, Fak Phys & Geowissensch, D-04103 Leipzig, Germany
ИФ СО РАН
L V Kirensky Institute of Physics, Russian Academy of Science, Siberian Branch, 660036 Krasnoyarsk, Russian Federation
Universitat Leipzig, Fakultat fur Physik und Geowissenschaften, Linnestra?e 5, D-04103 Leipzig, Germany

Доп.точки доступа:
Ivanov, Y. N.; Иванов, Юрий Николаевич; Totz, J.; Michel, D.; Klotzsche, G.; Sukhovsky, A. A.; Суховский, Андрей Андреевич; Aleksandrova, I. P.; Александрова, Инга Петровна
}
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15.

    Colloidal and deposited products of the interaction of tetrachloroauric acid with hydrogen selenide and hydrogen sulfide in aqueous solutions / S. Vorobyev [et al.] // Minerals. - 2018. - Vol. 8, Is. 11. - Ст. 492, DOI 10.3390/min8110492. - Cited References: 63. - This research was funded by the Siberian Branch of the Russian Academy of sciences, Program of Interdisciplinary Studies, grant number 64 (project 303). . - ISSN 2075-163X
   Перевод заглавия: Коллоидные и осажденные продукты взаимодействия золотохлористоводородной кислоты с селеноводородом и сероводородом в водных растворах
Кл.слова (ненормированные):
Gold selenide -- Gold sulfoselenide -- Colloids -- Nanoparticles -- Nucleation -- Liquid intermediates -- Deposition
Аннотация: The reactions of aqueous gold complexes with H2Se and H2S are important for transportation and deposition of gold in nature and for synthesis of AuSe-based nanomaterials but are scantily understood. Here, we explored species formed at different proportions of HAuCl4, H2Se and H2S at room temperature using in situ UV-vis spectroscopy, dynamic light scattering (DLS), zeta-potential measurement and ex situ Transmission electron microscopy (TEM), electron diffraction, X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), and Raman spectroscopy. Metal gold colloids arose at the molar ratios H2Se(H2S)/HAuCl4 less than 2. At higher ratios, pre-nucleation “dense liquid” species having the hydrodynamic diameter of 20–40 nm, zeta potential −40 mV to −50 mV, and the indirect band gap less than 1 eV derived from the UV-vis spectra grow into submicrometer droplets over several hours, followed by fractional nucleation in the interior and coagulation of disordered gold chalcogenide. XPS found only one Au+ site (Au 4f7/2 at 85.4 eV) in deposited AuSe, surface layers of which partially decomposed yielding Au0 nanoparticles capped with elemental selenium. The liquid species became less dense, the gap approached 2 eV, and gold chalcogenide destabilized towards the decomposition with increasing H2S content. Therefore, the reactions proceed via the non-classical mechanism involving “dense droplets” of supersaturated solution and produce AuSe1−xSx/Au nanocomposites.

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Держатели документа:
Institute of Chemistry and Chemical Technology of the Siberian Branch of the Russian Academy of Sciences, Krasnoyarsk, 660036, Russian Federation
Kirensky Institute of Physics of the Siberian Branch of the Russian Academy of Sciences, Krasnoyarsk, 660036, Russian Federation
Electron Microscopy Laboratory, Siberian Federal University, Krasnoyarsk, 660041, Russian Federation

Доп.точки доступа:
Vorobyev, S.; Likhatski, M.; Romanchenko, A.; Maksimov, N.; Zharkov, S. M.; Жарков, Сергей Михайлович; Krylov, A. S.; Крылов, Александр Сергеевич; Mikhlin, Y.
}
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16.

Golovnev, N. N.
Crystal structure and some properties of europium(III) Catena-{tris(1,3-diethyl-2-thiobarbiturate)} / N. N. Golovnev, M. S. Molokeev, S. N. Vereshchagin // J. Struct. Chem. - 2016. - Vol. 57, Is. 1. - P. 167-174, DOI 10.1134/S0022476616010200. - Cited References: 25. - The work was supported within the State Contract of the Ministry of Education and Science of the Russian Federation for research in the Siberian Federal University in 2015. . - ISSN 0022-4766

РУБ Chemistry, Inorganic & Nuclear + Chemistry, Physical
Рубрики:
1,3-diethyl-2-thiobarbituric acid
   Hydrogen-bond
   Diffraction
   Series
Кл.слова (ненормированные):
crystal structure -- complex -- europium(III) -- 1,3-diethyl-2-thiobarbituric acid -- thermal analysis -- IR spectroscopy -- photoluminescence
Аннотация: The [Eu(HDTBA)3] n complex (I), HDTBA is 1,3-diethyl-2-thiobarbituric acid (C8H12N2O2S) is synthesized and its structure is determined by X-ray crystallography. The crystals of I are triclinic: a = 11.0205(2) Å, b = 11.8811(3) Å, c = 12.7312(2) Å, α = 100.933(1)°, β = 109.704(1)°, γ = 101.161(1)°, V = 1479.88(5) Å3, space group P-1, Z = 2. Each of three independent DETBA- ions is a bridging μ2-O,O′-coordinated ligand. The coordination polyhedron of Eu(III) is a distorted octahedron. Bridging DETBA- organize the octahedra into an infinite two-dimensional layer. The structure contains intramolecular hydrogen bonds but intermolecular hydrogen bonds and the π-π interaction are absent. The results of IR spectroscopy and photoluminescence agree with the single crystal X-ray diffraction data. The main product of the thermal decomposition of I at 900°C is oxysulfate Eu2O2SO4. © 2016 Pleiades Publishing, Ltd.

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Публикация на русском языке Головнёв, Николай Николаевич. Кристаллическая структура и некоторые свойства катена-трис(1,3-диэтил-2-тиобарбитурата) европия(III) [Текст] / Н. Н. Головнёв, М. С. Молокеев, С. Н. Верещагин // Журн. структ. химии. - 2016. - Т. 57 № 1. - С. 171-178

Держатели документа:
Siberian Federal University, Krasnoyarsk, Russian Federation
Kirensky Institute of Physics, Siberian Branch, Russian Academy of Sciences, Krasnoyarsk, Russian Federation
Far Eastern State Transport University, Khabarovsk, Russian Federation
Institute of Chemistry and Chemical Technology, Siberian Branch, Russian Academy of Sciences, Krasnoyarsk, Russian Federation

Доп.точки доступа:
Molokeev, M. S.; Молокеев, Максим Сергеевич; Vereshchagin, S. N.
}
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17.

Golovnev, N. N.
Crystal structure of catena-(2-thiobarbiturato) dithallium(I) / N. N. Golovnev, M. S. Molokeev // J. Struct. Chem. - 2014. - Vol. 55, Is. 1. - P. 125-129, DOI 10.1134/S002247661401020X. - Cited References: 12. - The work was supported by the grant of the President of the Russian Federation for the support of leading scientific schools of the Russian Federation (NSh-924.2014.2) and the Federal Targeted Program "Scientific and Scientific Pedagogical Personnel of Innovative Russia, 2009-2013" (State contracts Nos. 02.740.11.0269 and 02.740.11.0629) . - ISSN 0022-4766. - ISSN 1573-8779

РУБ Chemistry, Inorganic & Nuclear + Chemistry, Physical
Рубрики:
THIOBARBITURIC ACID COMPLEXES
COLLECTION
Кл.слова (ненормированные):
catena-2-(thiobarbiturato)dithallium(I) -- crystal structure -- hydrogen bonds -- π-π interaction
Аннотация: By powder X-ray diffraction the crystal structure of catena-(2-thiobarbiturato)dithallium(I) C4H2N2O2STl2(C4H4N2O2S is 2-thiobarbituric acid, Н2ТBA), Tl2TBA, is determined. Crystallographic data for Tl2TBA are as follows: a = 15.1039(3) Å, b = 12.0818(2) Å, c = 3.86455(6) Å, β = 97.203(1)°, V = 741.34(2) Å3, space group P21/n, Z = 4. There are two non-equivalent thallium atoms in the structure. The Tl1 polyhedron is a distorted trigonal prism due to the shortened Tl–S contact (3.634 Å), and the Tl2 polyhedron is a distorted square antiprism.

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Публикация на русском языке Головнёв, Николай Николаевич. Кристаллическая структура катена-2-тиобарбитурата диталлия(I) [Текст] / Н. Н. Головнёв, М. С. Молокеев // Журн. структ. химии. - 2014. - Т. 55 № 1. - С. 130-134

Держатели документа:
Siberian Fed Univ, Krasnoyarsk, Russia
Russian Acad Sci, Siberian Div, LV Kirensky Phys Inst, Krasnoyarsk, Russia

Доп.точки доступа:
Molokeev, M. S.; Молокеев, Максим Сергеевич; Головнёв, Николай Николаевич
}
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18.

Golovnev, N. N.
Crystal structure of catena-(μ4-1,3-diethyl-2-thiobarbiturato-O,O’,S,S)silver(I) / N. N. Golovnev, M. S. Molokeev, M. A. Lutoshkin // Russ. J. Inorg. Chem. - 2015. - Vol. 60, Is. 5. - P. 572-576, DOI 10.1134/S0036023615050071. - Cited References:25 . - ISSN 0036. - ISSN 1531-8613. -

РУБ Chemistry, Inorganic & Nuclear
Рубрики:
1,3-DIETHYL-2-THIOBARBITURIC ACID
HYDROGEN-BOND
COMPLEXES
Аннотация: The crystal structure of catena-(μ4-1,3-diethyl-2-thiobarbiturato-O,O’,S,S)silver(I) [Ag(μ4-DETBA-O,O’,S,S] (1), where HDETBA is 1,3-diethyl-2-thiobarbituric acid C8H12N2O2S, has been solved by X-ray powder diffraction. Crystals of complex 1 are monoclinic, a = 7.8339(2) Å, b = 15.4970(4) Å, c = 8.7502(2) Å, β = 111.916(2)°, V = 985.53(5) Å3, space group P21/c, Z = 4. The Ag+ ion is coordinated by two oxygen atoms and two sulfur atoms to form a distorted tetrahedron. Tetrahedra share sulfur atom vertices to form infinite chains linked via bridging DETBA− ions into a three-dimensional framework. No hydrogen bonds have been found in the structure, but π-π interaction is observed between DETBA− ions.

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Публикация на русском языке Головнёв, Николай Николаевич. Кристаллическая структура катена-(μ4-1,3-диэтил-2-тиобарбитурато-O,O’,S,S)серебра(I) [Текст] / Н. Н. Головнёв, М. С. Молокеев, М. А. Лутошкин // Журн. неорг. химии : Наука, 2015. - Т. 60 № 5. - С. 639–643

Держатели документа:
Siberian Fed Univ, Krasnoyarsk 660041, Russia
Russian Acad Sci, Siberian Branch, Kirenskii Inst Phys, Krasnoyarsk 660036, Russia
Far Eastern State Univ Railway Res, Khabarovsk 680021, Russia

Доп.точки доступа:
Molokeev, M. S.; Молокеев, Максим Сергеевич; Lutoshkin, M. A.
}
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19.

Golovnev, N. N.
Crystal structure of catena-di(2-thiobarbiturato-O, S) aqualead(II) / N. N. Golovnev, M. S. Molokeev // J. Struct. Chem. - 2013. - Vol. 54, Is. 5. - P. 968-971, DOI 10.1134/S0022476613050193. - Cited References: 16 . - ISSN 0022-4766

РУБ Chemistry, Inorganic & Nuclear + Chemistry, Physical
Рубрики:
THIOBARBITURIC ACID COMPLEXES
COLLECTION
Кл.слова (ненормированные):
catena-di(mu(2)-2-thiobarbiturato-O,S)aqualead(II) -- crystal structure -- hydrogen bonds -- Pi-Pi interaction
Аннотация: The crystal structure of catena-di(mu(2)-2-thiobarbiturato-O,S)aqualead(II) C8H8N4O5S2Pb (C4H4N2O2S is 2-thiobarbituric acid, H(2)TBA) is determined. Crystallographic data for catena-[Pb(H2O)(mu(2)-HTBA-O,S)(2)] are as follows: a = 6.5972(1) , b = 9.8917(2) , c = 10.0893(2) , alpha = 106.702(1)A degrees, beta = 93.395(2)A degrees, gamma = 107.48(1)A degrees, V = 593.82(2) (3), space group , Z = 2. The Pb2+ ion is linked with six monodentate HTBA(-) ligands through two O atoms and four S atoms and also connected with a water molecule. Additionally, there is a shortened Pb-S contact (3.622 ), given which the complex polyhedron represents a distorted square antiprism. Hydrogen bonds N-HaEuro broken vertical bar O and O-HaEuro broken vertical bar O form a branched three-dimensional network. The structure is also stabilized by the pi-pi interaction of heterocyclic HTBA(-) ions.

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Публикация на русском языке Головнёв, Николай Николаевич. Кристаллическая структура катена-ди(2-тиобарбитурато-O,S)аквасвинца(II) / Н. Н. Головнёв // Журнал структурной химии. - 2013. - Т. 54, № 5. - С. 940-943

20.

Crystal structure of enrofloxacinium tetrabromidodichloridostannate(IV) monohydrate / N. N. Golovnev [et al.] // J. Struct. Chem. - 2013. - Vol. 54, Is. 2. - P. 377-382, DOI 10.1134/S0022476613020157. - Cited References: 17. - The work was supported by the grant of the President of the Russian Federation for the support of leading scientific schools of the Russian Federation (NSh-4828.2012.2) and the Federal Targeted Program "Scientific and Scientific Pedagogical Personnel of Innovative Russia, 2009-2013" (State contracts Nos. 02.740.11.0269 and 02.740.11.0629). . - ISSN 0022-4766

РУБ Chemistry, Inorganic & Nuclear + Chemistry, Physical
Рубрики:
COMPLEX
Кл.слова (ненормированные):
crystal structure -- enrofloxacinium cation -- tetrabromidodichloridostannate(IV) anion -- hydrogen bonds
Аннотация: A new compound EnrH(3)[SnBr3.46Cl2.54]center dot H2O, where EnrH (3) (2+) is the enrofloxacinium cation (C19H24FN3O (3) (2+) ), is synthesized and its crystal and molecular structure is determined. Crystallographic data for enrofloxacinium tetrabromidodichloridostannate(IV) monohydrate are as follows: a = 17.1262(19) , b = 10.3435(11) , c = 17.2582(19) , beta = 119.203(1)A degrees, V = 2640.5(4) (3), space group P2(1)/c, Z = 4. Hydrogen bonds form a branched three-dimensional network linking EnrH (3) (2+) , [SnBr3.46Cl2.54](2-), and water molecules. The structure is also stabilized by the pi-pi interaction of EnrH (3) (2+) aromatic rings.

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Публикация на русском языке Кристаллическая структура моногидрата тетрабромидодихлоридостанната(IV) энрофлоксациния // Журнал структурной химии. - 2013. - Т. 54, № 2. - С. 325-330

Держатели документа:
Siberian Fed Univ, Krasnoyarsk, Russia
Russian Acad Sci, LV Kirensky Phys Inst, Siberian Div, Krasnoyarsk, Russia

Доп.точки доступа:
Golovnev, N. N.; Головнёв, Николай Николаевич; Molokeev, M. S.; Молокеев, Максим Сергеевич; Golovneva, I. I.; Головнева И.И.; Glushchenko, G. A.; Глущенко, Гарий Анатольевич
}
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