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    Magnetic, structural, and electronic properties of iron sulfide Fe3S4 nanoparticles synthesized by the polyol mediated process / I. S. Lyubutin [et al.] // J. Nanopart. Res. - 2013. - Vol. 15. - P. 1397DOI 10.1007/s11051-012-1397-0
   Перевод заглавия: Магнитные, структурные и электронные свойства наночастиц сульфида железа Fe3S4, полученных полиол-синтезом
Аннотация: Iron sulfide nanoparticles Fe3S4 with the spinel-type crystal structure were synthesized by the polyol mediated process. The particle size depends on preparation conditions and varies from 9 to 20 nm. Mössbauer data have revealed that the dominating fraction of iron ions in the 9-nm sample is in the high-spin ferric state. This implies an occurrence of the cation vacancies in nonstoichiometric greigite. The stoichiometric phase of greigite Fe3S4 dominates in the 18-nm-size nanoparticles. Magnetic measurements have shown a ferrimagnetic behavior of all samples at temperatures between 78 and 300 K. The estimated value of magnetic moment of the stoichiometric greigite nanoparticles is about 3.5 μB per Fe3S4 unit. The Mössbauer spectra indicate a superparamagnetic behavior of small particles, and some fraction of superparamagnetic phase is observed in all samples synthesized which may be caused by the particle size distribution. The blocking temperatures of T B ≈ 230 and 250 K are estimated for the 9 and 14 nm particles, respectively. The Mössbauer parameters indicate a great degree of covalency in the Fe–S bonds and support the fast electron Fe3+ ⇆ Fe2+ exchange in the B-sites of greigite. An absence of the Verwey transition at temperatures between 90 and 295 K is established supporting a semimetal type of conductivity. The temperature and magnetic field dependences of the magnetic circular dichroism (MCD) of optical spectra were measured in Fe3S4 for the first time. The spectra differ substantially from that of the isostructural oxide Fe3O4. It is supposed that the MCD spectra of greigite nanoparticles result from the collective electron excitations in a wide band with superimposed peaks of the d–d transitions in Fe ions.

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Держатели документа:
Russian Acad Sci, AV Shubnikov Crystallog Inst, Moscow 119333, Russia
Southern Taiwan Univ Sci & Technol, Dept Mech Engn, Inst Nanotechnol, Tainan 710, Taiwan
Russian Acad Sci, LV Kirensky Phys Inst, Siberian Branch, Krasnoyarsk 660036, Russia
Siberian Fed Univ, Inst Engn Phys & Radioelect, Krasnoyarsk 660041, Russia

Доп.точки доступа:
Lyubutin, I. S.; Starchikov, S. S.; Lin, Chun-Rong; Lu, Shin-Zong; Shaikh, M. O.; Funtov, K. O.; Dmitrieva, T. V.; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Edelman, I. S.; Ivantsov, R. D.; Иванцов, Руслан Дмитриевич
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    Structural field of K2Al2B2O7-family [borate] crystals / V. V. Atuchin [et al.]. ; Nonlinear Optics and Applications (VII ; April 15, 2013 ; Prague) // Proc. SPIE. - 2013. - Vol. 8772. - Ст. 877210. - P. DOI 10.1117/12.2017099
   Перевод заглавия: Структурная область боратных кристаллов семейства K2Al2B2O7
Аннотация: The known crystal structures of borate compounds with general composition AI2MIII 2B2O7 (AI: Na, K, Cs, Rb) have been considered. The structures in space groups P63/m, P-31c, P321 and P21/c have been found depending on cation combination. Criterion k = (r(MIII)+r(B)+2r(O))/r(AI) has been formulated and it controls the formation of trigonal K2Al2B2O7 (KABO) type structure. The existence of noncentrosymmetric KABO-type borates is possible over the range of k = 2.7 – 2.06. This range is promising for searching new borate crystals and solid solutions with pronounced nonlinear optical properties. © (2013) COPYRIGHT Society of Photo-Optical Instrumentation Engineers (SPIE). Downloading of the abstract is permitted for personal use only.

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Доп.точки доступа:
Atuchin, V. V.; Bazarov, B. G.; Базаров Б.Г.; Grossman, V. G.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Bazarova, Zh.G.; Базарова Ж.Г.; Nonlinear Optics and Applications (7 ; 2013 ; Apr. ; 15 ; Prague)
}
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    Synthesis, structural and vibrational properties of microcrystalline β-RbSm(MoO4)2 / V. V. Atuchin [et al.] // Mater. lett. - 2013. - Vol. 106. - P. 26-29DOI 10.1016/j.matlet.2013.04.039
   Перевод заглавия: Синтез, структурные и колебательные свойства микрокристаллов β-RbSm(MoO4)2
Аннотация: Low-temperature rubidium samarium dimolybdate, β-RbSm(MoO4)2, microplates have been prepared by solid state synthesis at 723 K by 70 h and 893 K by 150 h. The crystal structure of β-RbSm(MoO4)2 has been first refined by the Rietveld method in the space group Pbcn with unit cell parameters a=5.1431(2) Å, b=18.8195(7) Å, and c=8.1641(3) Å (RB=4.82%). The crystal structure of β-RbSm(MoO4)2 consists of the layers of MoO4 tetrahedrons corner-sharing with SmO8 square antiprisms. About 20 narrow Raman lines have been observed in Raman spectra recorded for the β-RbSm(MoO4)2 powder sample.

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Держатели документа:
SB RAS, Inst Semicond Phys, Lab Opt Mat & Struct, Novosibirsk 630090, Russia
SB RAS, Baikal Inst Nat Management, Lab Oxide Syst, Ulan Ude 670047, Russia
SB RAS, Inst Automat & Electrometry, Lab Condensed Matter Spect, Novosibirsk 630090, Russia
SB RAS, Inst Semicond Phys, Lab Nanodiagnost & Nanolithog, Novosibirsk 630090, Russia
SB RAS, Inst Phys, Lab Crystal Phys, Krasnoyarsk 660036, Russia

Доп.точки доступа:
Atuchin, V. V.; Chimitova, O. D.; Adichtchev, S. V.; Bazarova, Zh.G.; Базарова Ж.Г.; Gavrilova, T. A.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Surovtsev, N. V.; Bazarov, B. G.; Базаров Б.Г.
}
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Structural transformations in a single-crystal Rb2NaYF6: Raman scattering study / A. S. Krylov // J. Raman Spectrosc. - 2013. - Vol. 44, Is. 5. - P. 763-769DOI 10.1002/jrs.4263
Аннотация: This paper reports Raman spectroscopy investigation of phase transitions in Rb2NaYF6 crystal. The experimental spectra were compared with the calculated one. The spectra were obtained in temperature range from 8 to 300 K. The Raman spectra shows anomalous temperature-dependent behavior at T1 = 154 and T2 = 122 K. Soft mode restoration has been found, which allows us to attribute first transition at 154 K to displacive type. Detailed analysis temperature dependencies of the line positions and widths have been performed. We found no effects of possible lattice disorder anywhere, except narrow (about 20 K) range above the T1 temperature. The Raman spectra of Rb2NaYF6 crystal have been obtained and analyzed under hydrostatic pressure up to 4.33 GPa (at T = 295 K). The high pressure experiment up to 4.33 GPa did not disclose any effects associated with phase transitions. The lattice vibration spectra were calculated up to 10 GPa. The calculation has been demonstrated that the Rb2NaYF6 does not undergo high pressure phase transition.

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Доп.точки доступа:
Krylov, A. S.; Крылов, Александр Сергеевич; Vtyurin, A. N.; Втюрин, Александр Николаевич; Oreshonkov, A. S.; Орешонков, Александр Сергеевич; Voronov, V. N.; Воронов, Владимир Николаевич; Krylova, S. N.; Крылова, Светлана Николаевна
}
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    Synthesis, structural and photoluminescence properties of Ca2Al3O6F:Eu2+ phosphor / Zhiguo Xia [и др.] // The 7th Russian-French workshop on Nanosciences and Nanotechnologies : Program and abstract book. - Novosibirsk, 2013. - P. 65 . - ISBN 978-5-901688-29-8
   Перевод заглавия: Синтез, структурные и фотолюминесцентные свойства люминофора Ca2Al3O6F:Eu2+

Материалы конференции

Доп.точки доступа:
Zhiguo Xia; Molokeev, M. S.; Молокеев, Максим Сергеевич; Oreshonkov, A. S.; Орешонков, Александр Сергеевич; Atuchin, V. V.; Russian-French workshop on Nanosciences and Nanotechnologies(7 ; 2013 ; Jun. ; 3-6 ; Новосибирск); Российская академия наук; Сибирское отделение РАН; Институт неорганической химии им. А.В. Николаева Сибирского отделения РАН; Институт катализа им. Г.К. Борескова Сибирского отделения РАН; Институт физики полупроводников им. А.В. Ржанова Сибирского отделения РАН
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    The formation and structural parameters of new double molybdates RbLn(MoO4)2 (Ln = Pr, Nd, Sm, Eu) : Proceedings paper / O. D. Chimitova [et al.] // Proc. of SPIE. - 2013. - Vol. 8771. - Ст. 87711A. - P. DOI 10.1117/12.2017816
   Перевод заглавия: Формирование и структурные параметры новых двойных молибдатов RbLn(MoO4)2 (Ln=Pr, Nd, Sm, Eu)
Аннотация: The structures of double molybdates with general compositions ALn(MoO4)2 (A – alkaline metals, Cu or Tl) have been considered and compared. It has been shown that the ionic radii ratio RLn/RA is a key factor governing crystal symmetry. Different structure fields in ALn(MoO4)2 (A = Li+, Na+, K+, Cu+, Rb+, Ag+, Cs+, Tl+) molybdates have been defined as a function of element composition.

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Доп.точки доступа:
Chimitova, O. D.; Atuchin, V. V.; Bazarov, B. G.; Базаров Б.Г.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Bazarova, Zh.G.; Базарова Ж.Г.; Metamaterials (8 ; 2013 ; April ; 15 ; Prague, Czech Republic)
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Структурные и оптические свойства тонких пленок In2O3, полученных автоволновым окислением / И. А. Тамбасов [и др.] // Физ. и техника полупроводников. - 2013. - Т. 47, Вып. 4. - С. 546-550
Аннотация: Пленки кубической фазы In2O3 получены автоволновой реакцией окисления. Электронно-микроскопические исследования и фотоэлектронная спектроскопия профилей распределения показали, что образцы однородны по всей площади и толщине, характерный размер зерна 20--40 нм. Проведены исследования оптических и электрических свойств пленок In2O3, полученных при различном давлении в вакуумной камере. В диапазоне длины волн 400--1100 нм пленки имели прозрачность более 85% и удельное сопротивление 1.8· 10-2 Ом·см.

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Переводная версия Structural and optical properties of thin In2O3 films produced by autowave oxidation. - [Б. м. : б. и.]

Держатели документа:
Институт физики им. Л.В. Киренского СО РАН

Доп.точки доступа:
Тамбасов, Игорь Анатольевич; Tambasov I.A.; Мягков, Виктор Григорьевич; Myagkov V.G.; Иваненко, Александр Анатольевич; Ivanenko, A. A.; Немцев, Иван Васильевич; Nemtsev I.V.; Быкова, Людмила Евгеньевна; Bykova L.E.; Бондаренко, Галина Николаевна; Bondarenko, G. N.; Mikhlin, Y. L.; Михлин, Юрий Леонидович; Максимов, И. А.; Иванов, В. В.; Балашов, С. В.; Карпенко, Д. С.
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Structural and optical properties of thin In2O3 films produced by autowave oxidation / I. A. Tambasov [et al.] // Semiconductors. - 2013. - Vol. 47, Is. 4. - P. 569-573DOI 10.1134/S1063782613040210
Аннотация: Cubic-phase In2O3 films are produced by the autowave oxidation reaction. Electron microscopy and photoelectron spectroscopy of the atomic profiles show that the samples are homogeneous over the entire area and throughout the thickness, with the typical grain size being 20–40 nm. The optical and electrical properties are studied for In2O3 films fabricated at different pressures in the vacuum chamber. In the wave-length range from 400 to 1100 nm, the transparency of the films was higher than 85%; the resistivity of the films was 1.8 × 10–2Ω cm.

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Публикация на русском языке Структурные и оптические свойства тонких пленок In2O3, полученных автоволновым окислением // Физика и техника полупроводников. - 2013. - Т. 47, Вып. 4. - С. 546-550

Держатели документа:
Russian Acad Sci, Kirenskii Inst Phys, Siberian Branch, Krasnoyarsk 660036, Russia
Russian Acad Sci, Inst Chem & Chem Technol, Siberian Branch, Krasnoyarsk 660049, Russia
Joint Stock Co Academician MF Reshetnev Informat, Zheleznogorsk 662972, Russia

Доп.точки доступа:
Tambasov, I. A.; Тамбасов, Игорь Анатольевич; Myagkov, V. G.; Ivanenko, A. A.; Иваненко, Александр Анатольевич; Nemtsev, I. V.; Немцев, Иван Васильевич; Bykova, L. E.; Быкова, Людмила Евгеньевна; Bondarenko, G. N.; Бондаренко, Галина Николаевна; Mihlin, J. L.; Михлин, Юрий Леонидович; Maksimov, I. A.; Максимов И. А.; Ivanov, V. V.; Иванов В. В.; Balashov, S. V.; Балашов С. В.; Karpenko, D. S.; Карпенко Д. С.
}
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Astakhov, A. M.
Crystal and molecular structure of 1-phenyl-2-nitroguanidine / A. M. Astakhov, A. D. Vasiliev, V. A. Revenko // J. Struct. Chem. - 2012. - Vol. 53, Is. 5. - P. 1013-1016, DOI 10.1134/S0022476612050265. - Cited References: 12 . - ISSN 0022-4766

РУБ Chemistry, Inorganic & Nuclear + Chemistry, Physical

Кл.слова (ненормированные):
nitrimines -- nitroguanidine -- single crystal X-ray diffraction study -- molecular structure
Аннотация: The molecular structure of 1-phenyl-2-nitroguanidine is nonplanar, but contains two almost planar fragments: nitroguanyl and phenyl groups. Unlike previously studied nitroguanidines, in 1-phenyl-2-nitroguanidine, the nitro group is turned to the secondary amino group. However, the structural parameters of the nitroguanyl group are little different from those of nitroguanidine and its alkyl derivatives. In the benzene ring, the symmetry in the geometric parameters is not observed, which is explained by the intermolecular interaction with the neighboring molecule.

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Публикация на русском языке Астахов А. М. Кристаллическая и молекулярная структура 1-фенил-2-нитрогуанидина [Текст] / А. М. Астахов, А. Д. Васильев, В. А. Ревенко // Журн. структ. химии. - 2012. - Т. 53 № 5. - С. 1031-1034

Доп.точки доступа:
Vasiliev, A. D.; Васильев, Александр Дмитриевич; Revenko, V. A.; Ревенко В.А.
}
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10.

    Preparation and structural properties of nonlinear optical borates K 2(1-x)Rb 2xAl 2B 2O 7, 0 ˂ x ˂ 0.75 / V. V. Atuchin [и др.] // J. Alloys Compd. - 2012. - Vol. 515. - P. 119-122, DOI 10.1016/j.jallcom.2011.11.115. - Cited References: 30. - This study was supported by SB RAS (Grant 34) and RFBR Grants 11-02-90706-mob_st and 11-03-00867a. . - ISSN 0925-8388
   Перевод заглавия: Получение и структурные свойства нелинейных оптических боратов K 2(1-x)Rb 2xAl 2B 2O 7, 0 ˂ x ˂ 0.75

РУБ Chemistry, Physical + Materials Science, Multidisciplinary + Metallurgy & Metallurgical Engineering + Aluminum + Crystal structure + Nonlinear optics + Rietveld analysis + Rubidium + Solid solutions + Structural properties + X ray powder diffraction
Рубрики:
UV-light generation
   Frequence-conversion
   K2Al2B2O7 crystal
   Composition ratio
   Mixed-crystals
   Growth
   KRbAl2B2O7
   NLO properties
   Non-linear optical
   Non-linear optical properties
   Rietveld analysis of X-ray powder diffraction data
   Solubility limits
   Space Groups
   Structural parameter
Кл.слова (ненормированные):
KRbAl2B2O7 -- Solid solution -- Crystal structure -- NLO properties
Аннотация: The structures of K 2(1-x)Rb 2xAl 2B 2O 7, x = 0.25, 0.5, 0.75, have been determined in space group P321 through Rietveld analysis of X-ray powder diffraction data. The solubility limit in K 2(1-x)Rb 2xAl 2B 2O 7 crystals has been estimated as x similar to 0.83-0.9. Nonlinear optical properties of KRbAl 2B 2O 7 have been verified by powder Kurtz-Perry method. Mechanisms of structural parameter variation in K 2Al 2B 2O 7 crystal family have been discussed.

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Доп.точки доступа:
Atuchin, V. V.; Bazarov, B. G.; Gavrilova, T. A.; Grossman, V. G.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Bazarova, Zh. G.
}
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11.

    Structural limits of K2Al2B2O7-family borate crystals / V. V. Atuchin [et al.] // XVI Международная конференция "Опто-, наноэлектроника, нанотехнологии и микросистемы" : Труды. - Ульяновск, 2013. - P. 102-103
   Перевод заглавия: Структурные пределы кристаллов боратов семейства K2Al2B2O7

Материалы конференции

Доп.точки доступа:
Atuchin, V. V.; Bazarov, B. G.; Grossman, V. G.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Bazarova, Zh.G.; Институт нанотехнологий микроэлектроники РАН; Ульяновский государственный университет; Российский фонд фундаментальных исследований; Академия наук Татарстана; "Opto-, nanoelectronics, nanotechnology, and microsystems", International Conference (2013 ; Jul. ; 26-30 ; Ulyanovsk, Russia); "Опто-, наноэлектроника, нанотехнологии и микросистемы", международная конференция (2013 ; июль.; 26-30 ; Ульяновск)
}
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12.

    Structural parameters of double molybdates ALn(MoO4)2 / V. V. Atuchin [et al.] // XVI Международная конференция "Опто-, наноэлектроника, нанотехнологии и микросистемы" : Труды. - Ульяновск, 2013. - P. 239-240
   Перевод заглавия: Структурные параметры двойных молибдатов ALn(MoO4)2

Материалы конференции

Доп.точки доступа:
Atuchin, V. V.; Chimitova, O. D.; Bazarov, B. G.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Bazarova, Zh.G.; Институт нанотехнологий микроэлектроники РАН; Ульяновский государственный университет; Российский фонд фундаментальных исследований; Академия наук Татарстана; "Opto-, nanoelectronics, nanotechnology, and microsystems", International Conference (2013 ; Jul. ; 26-30 ; Ulyanovsk, Russia); "Опто-, наноэлектроника, нанотехнологии и микросистемы", международная конференция (2013 ; июль.; 26-30 ; Ульяновск)
}
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13.

Intrinsic edge asymmetry in narrow zigzag hexagonal heteroatomic nanoribbons causes their subtle uniform curvature / P. V. Avramov [et al.] // J. Phys. Chem. Lett. - 2012. - Vol. 3, Is. 15. - P. 2003-2008, DOI 10.1021/jz300625t. - Cited References: 42. - This work was supported by JAEA Research fellowship (P.V.A.). P.V.A. also acknowledges JAEA ASRC and the Molecular Spintronics Group for hospitality and fruitful collaboration. D.G.F. thanks Prof. Kazuo Kitaura for many fruitful discussions and the Next Generation SuperComputing Project, Nanoscience Program and Strategic Programs for Innovative Research (MEXT, Japan) for financial support. This work was partially supported by Russian Ministry of Education and Science (Contract No. 16.552.11.7014) (P.B.S.). . - ISSN 1948-7185

РУБ Chemistry, Physical + Nanoscience & Nanotechnology + Materials Science, Multidisciplinary + Physics, Atomic, Molecular & Chemical + Boron nitride + Density functional theory + Electronic structure + Fluorine + Graphene + Orbital calculations + Quantum chemistry + Silicon carbide
Рубрики:
MOLECULAR-ORBITAL METHOD
   WALLED CARBON NANOTUBES
   GRAPHENE NANORIBBONS
   ELECTRONIC-STRUCTURE
   OPTICAL-TRANSITIONS
   SOLIDS
   BOND
   Aromatic rings
   Conical surfaces
   Finite length
   Fragment molecular orbital methods
   Graphene nanoribbons
   Intrinsic curvature
   Nanoribbons
   Out-of-plane
   Structural stress
Кл.слова (ненормированные):
zigzag nanoribbons -- hexagonal atomic lattices -- fluorine-terminated graphene
Аннотация: The atomic and electronic structure of narrow zigzag nanoribbons with finite length, consisting of graphene terminated by fluorine on one side, hexagonal (h) h-BN, and h-SiC were studied with density functional theory. It is found that the asymmetry of nanoribbon edges causes a uniform curvature of the ribbons due to structural stress in the aromatic ring plane. Narrow graphene nanoribbons terminated with fluorine on one side demonstrate a considerable out-of-plane bend, suggesting that the nanoribbon is a fraction of a conical surface. It is shown that the intrinsic curvature of the narrow nanoribbons destroys the periodicity and results in a systematic cancellation of the dipole moment. The in- and out- of-plane curvature of thin arcs allows their closure in nanorings or cone fragments of giant diameter. Using the fragment molecular orbital method, we optimized the structure of a planar giant arc and a closed ring of h-BN with a diameter of 105 nm.

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Держатели документа:
[Avramov, Pavel V.
Sakai, Seiji
Entani, Shiro
Ohtomo, Manabu
Matsumoto, Yoshihiro
Naramoto, Hiroshi] Japan Atom Energy Agcy, Adv Sci Res Ctr, Tokai, Ibaraki 3191195, Japan
[Avramov, Pavel V.] LV Kirensky Inst Phys SB RAS, Krasnoyarsk 660036, Russia
[Fedorov, Dmitri G.] Natl Inst Adv Ind Sci & Technol, Nanosyst Res Inst, Tsukuba, Ibaraki 3058568, Japan
[Sorokin, Pavel B.] Technol Inst Superhard & Novel Carbon Mat, Troitsk 142190, Moscow Region, Russia

Доп.точки доступа:
Avramov, P. V.; Аврамов, Павел Вениаминович; Fedorov, D. G.; Sorokin, P. B.; Sakai, S.; Entani, S.; Ohtomo, M.; Matsumoto, Y.; Naramoto, H.
}
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14.

    Synthesis and molecular structure of cobalt(II) complex with 1-(1-silatranylmethyl)-1,2,4-triazole / A. D. Vasiliev [et al.] // Struct. Chem. - 2013. - Vol. 24, Is. 4. - P. 1001-1005, DOI 10.1007/s11224-012-0121-0. - Cited References: 24 . - ISSN 1040-0400
   Перевод заглавия: Синтез и молекулярная структура комплекса кобальта(II) с 1-(1-силатранилметил)-1,2,4-триазолом

РУБ Chemistry, Multidisciplinary + Chemistry, Physical + Crystallography
Рубрики:
REACTIVITY
   DERIVATIVES
   CRYSTAL
   SPECTRA
Кл.слова (ненормированные):
Complexes -- 1-(1-Silatranylmethyl)-1,2,4-triazole -- Cobalt dichloride -- X-ray diffraction
Аннотация: Reaction of cobalt chloride with 1-(1-silatranylmethyl)-1,2,4-triazole in benzene afforded complex CoCl2 center dot 2L (L = 1-(1-silatranylmethyl)-1,2,4-triazole). It was isolated as the solvate [CoCl2 center dot 2L]center dot CH2Cl2 (1) by recrystallization from dichloromethane and structurally characterized by single-crystal X-ray diffraction. It crystallizes in the monoclinic space group P2(1)/m with a = 6.798(2) E, b = 20.326(5) E, c = 11.005(3) E, and Z = 4. The cobalt atom is in slightly distorted square-planar environment, coordinated to two nitrogen atoms from two ligands and two chloride ions.

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Держатели документа:
Russian Acad Sci, Siberian Branch, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia
East Siberian State Academician Educ, Irkutsk 664011, Russia
Russian Acad Sci, Siberian Branch, AE Favorsky Irkutsk Inst Chem, Irkutsk 664033, Russia

Доп.точки доступа:
Vasiliev, A. D.; Васильев, Александр Дмитриевич; Zel'bst, E. A.; Soldatenko, A. S.; Bolgova, Yu.I.; Trofimova, O. M.; Voronkov, M. G.
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15.

Golovnev, N. N.
Crystal structure of potassium 2-thiobarbiturate / N. N. Golovnev, M. S. Molokeev, M. Y. Belash // J. Struct. Chem. - 2013. - Vol. 54, Is. 3. - P. 566-570, DOI 10.1134/S0022476613030141. - Cited References: 18. - 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:
ACID
Кл.слова (ненормированные):
crystal structure -- potassium thiobarbiturate -- hydrogen bonds -- pi-pi interaction
Аннотация: The crystal and molecular structure of potassium thiobarbiturate C4H3KN2O2S (C4H4N2O2S-2-thiobarbituric acid, H(2)TBA) is determined. Crystallographic data for KHTBA are as follows: a = 11.2317(17) , b = 3.8687(6) , c = 14.557(2) , beta = 97.448(4)A degrees, V = 627.18(17) (3), space group P2/c, Z = 4. Each potassium ion is linked with four oxygen atoms and two S atoms forming a distorted octahedron. N-HaEuro broken vertical bar O and C-HaEuro broken vertical bar S hydrogen bonds 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 2-тиобарбитурата калия / Н. Н. Головнёв // Журнал структурной химии : ФГУП "Издательство Сибирского отделения Российской акдемии наук", 2013. - Т. 54, № 3. - С. 512-516. - ISSN 0136-7463

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

Доп.точки доступа:
Molokeev, M. S.; Молокеев, Максим Сергеевич; Belash, M. Y.; Головнёв, Николай Николаевич
}
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16.

Vasiliev, A. D.
Crystal structure of two hydrate phases of ciprofloxacindi-um tetrachloridocobaltate(II) / A. D. Vasiliev, N. N. Golovnev // J. Struct. Chem. - 2013. - Vol. 54, Is. 3. - P. 607-612, DOI 10.1134/S0022476613030219. - Cited References: 9 . - ISSN 0022-4766

РУБ Chemistry, Inorganic & Nuclear + Chemistry, Physical

Кл.слова (ненормированные):
ciprofloxacindi-um tetrachloridocobaltate(II) -- crystal structure -- hydrogen bonds -- pi-pi interaction
Аннотация: New (C17H20FN3O3)(2)[CoCl4](2)center dot 3H(2)O (I) and C17H20FN3O3[CoCl4]center dot H2O (II) compounds, where C17H18FN3O3 is ciprofloxacin (CfH), are synthesized and their crystal structures are determined. Crystallographic data for I: a = 18.441(5) , b = 9.030(3) , c = 27.551(8) , V = 4588(4) (3), space group Pca2(1), Z = 4; for II: a = 9.305(3) , b = 9.885(3) , c = 12.999(4) , alpha = 82.782(4)A degrees, beta = 72.954(4)A degrees, gamma = 89.736(4)A degrees, V = 1133(1) (3), P-1 space group, Z = 2. Both structures contain CfH (3) (2+) ion pairs bonded by the pi-pi interaction. Additionally, in the crystal of I there is a stacking interaction between the pi clouds of aromatic rings and hydrogen atoms of the cyclopropyl group linking the pairs of molecules with each other. The structure of the centrosymmetric crystal of triclinic phase II is also formed from CfH (3) (2+) ion pairs bonded by the pi-pi interaction, which, in this case, are not independent because they are related by the symmetry center. Hydrogen bonds form a branched three-dimensional network linking the CfH (3) (2+) and CoCl (4) (2-) ions and water molecules.

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Публикация на русском языке Васильев, Александр Дмитриевич. Кристаллическая структура двух гидратных фаз тетрахлоридокобальтата(ii) ципрофлоксациния / А. Д. Васильев // Журнал структурной химии : ФГУП "Издательство Сибирского отделения Российской акдемии наук", 2013. - Т. 54, № 3. - С. 553-558. - ISSN 0136-7463

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

Доп.точки доступа:
Golovnev, N. N.; Васильев, Александр Дмитриевич
}
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17.

A quantum chemical study of the formation of 2-hydroperoxy-coelenterazine in the Сa2+-regulated photoprotein obelin / L. Y. Antipina [et al.] // J. Struct. Chem. - 2011. - Vol. 52, Is. 5. - P. 870-875. - Cited References: 19. - The work was supported by RFBR (07-04-00930-a), the "Molecular and Cell Biology" Program of the Presidium of the Russian Academy of Sciences, and the Program of the Siberian Division of the Russian Academy of Sciences (project No. 2) within the implementation of the Federal Targeted Program "Scientific and Scientific Pedagogical Personnel of Innovative Russia, 2010" (P333 and P213). . - ISSN 0022-4766

РУБ Chemistry, Inorganic & Nuclear + Chemistry, Physical
Рубрики:
CALCIUM-DISCHARGED OBELIN
   SEMIEMPIRICAL METHODS
   1.7 ANGSTROM
   OPTIMIZATION
   PARAMETERS
   MECHANISM
   FLUORESCENCE
   ELEMENTS
   PROTEIN
   EMITTER
Кл.слова (ненормированные):
coelenterazine -- 2-hydroperoxy-coelenterazine -- Obelia longissima -- Renilla muelleri
Аннотация: The Ca2+-regulated photoprotein obelin determines the luminescence of the marine hydroid Obelia longissima. Bioluminescence is initiated by calcium and appears as a result of the oxidative decarboxylation related to the coelenterazine substrate. The luciferase of the luminescent marine coral Renilla muelleri (RM) also uses coelenterazine as a substrate. However, three proteins are involved in the in vivo bioluminescence of these animals: luciferase, green fluorescent protein, and Ca2+-regulated coelenterazine-binding protein (CBP). In fact, CBP that contains one strongly bound coelenterazine molecule is the RM luciferase substrate in the in vivo bioluminescent reaction. Coelenterazine becomes available for oxygen and the reaction with luciferase only after binding CBP with calcium ions. Unlike Ca2+-regulated photoproteins, the coelenterazine molecule is not activated by oxygen in the CBP molecule. In this work, by means of quantum chemical methods the behavior of substrates in these proteins is analyzed. It is shown that coelenterazine can form different tautomers: CLZ(2H) and CLZ(7H). The formation of 2-hydroperoxy-coelenterazine is studied. According to the obtained data, these proteins use different forms of the substrates for the reaction. In obelin, the substrate is in the CLZ(2H) form that affords hydrogen peroxide. In RM, coelenterazine is in the CLZ(7H) form, and therefore, CBP is not activated by oxygen.

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Держатели документа:
Russian Acad Sci, LV Kirensky Phys Inst, Siberian Div, Krasnoyarsk, Russia
Russian Acad Sci, Inst Biophys, Siberian Div, Krasnoyarsk, Russia
MF Reshetnev Siberian State Aerosp Univ, Krasnoyarsk, Russia

Доп.точки доступа:
Antipina, L. Yu.; Tomilin, F. N.; Томилин, Феликс Николаевич; Vysotski, E. S.; Высоцкий, Евгений Степанович; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич
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18.

Chemistry of vinylidene complexes. XX. Intramolecular carbonylation of vinylidene on the MnFe center: Spectroscopic and structural study. X-ray structure of the new trimethylenemethane type MnFe complex / A. B. Antonova [et al.] // J. Organomet. Chem. - 2011. - Vol. 696, Is. 4. - P. 963-970, DOI 10.1016/j.jorganchem.2010.10.035. - Cited References: 52. - This work was partially supported by the Presidium of the Russian Academy of Sciences (Program for Basic Research, Project No. 7.18) and Russian Foundation for Basic Research (Grant No. 09-03-90745-mob_st). Authors are grateful to Prof. N.A. Ustynyuk for useful discussions, Dr. E.A. Shor and Dr. A.M. Shor for giving the data of quantum chemical study. . - ISSN 0022-328X

РУБ Chemistry, Inorganic & Nuclear + Chemistry, Organic
Рубрики:
MOLECULAR-STRUCTURE
   ORGANOMETALLIC CHEMISTRY
   TRICARBONYL COMPLEXES
   UNSATURATED CARBENES
   METAL VINYLIDENES
   TRANSITION-METALS
   ORGANIC-SYNTHESIS
   CRYSTAL-STRUCTURE
   IRON TRICARBONYL
   MANGANESE
Кл.слова (ненормированные):
Manganese -- Iron -- Carbonyl complexes -- Heteronuclear vinylidene complexes -- Intramolecular vinylidene carbonylation -- Trimethylenemethane complexes
Аннотация: Reactions of Fe-2(CO)(9) with Cp(CO)(2)Mn=C=CHPh (1) and Cp(CO)(PPh3)Mn=C=CHPh (3) gave the heterometallic trimethylenemethane complexes eta(4)-{C[Mn(CO)(2)Cp](CO)CHPh}Fe(CO)(3) (2) and eta(4)-{C[Mn(CO)(PPh3)Cp](CO)CHPh}Fe(CO)(3) (4), respectively. The formation of the benzylideneketene [PhHC=C=C=O] fragment included in complexes 2 and 4 occurs via intramolecular coupling of the carbonyl and vinylidene ligands. The structures of 3 and 4 were determined by single crystal XRD methods. The influence of the nature of the L ligands at the Mn atom on the structural and spectroscopic characteristics of eta(4)-{C[Mn(CO)(L)Cp](CO)CHPh}Fe(CO)(3) (L = CO (2), PPh3 (4)) is considered. According to the VT H-1 and C-13 NMR spectra, complex 2 reversibly transforms in solution into mu-eta(1):eta(1)-vinylidene isomer Cp(CO)(2)MnFe(mu-C=CHPh)(CO)(4) (2a), whereas complex 4 containing the PPh3 ligand is not able to a similar transformation. (C) 2010 Elsevier B.V. All rights reserved.

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Держатели документа:
Russian Acad Sci, Inst Chem & Chem Technol, Siberian Branch, Krasnoyarsk 660049, Russia
Russian Acad Sci, Inst Phys, Siberian Branch, Krasnoyarsk 660036, Russia
Siberian Fed Univ, Krasnoyarsk 660041, Russia
Russian Acad Sci, AN Nesmeyanov Organoelement Cpds Inst, Moscow 119991, Russia

Доп.точки доступа:
Antonova, A. B.; Chudin, O. S.; Vasiliev, A. D.; Васильев, Александр Дмитриевич; Rubaylo, A. I.; Verpekin, V. V.; Sokolenko, W. A.; Pavlenko, N. I.; Semeikin, O. V.
}
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19.

Synthesis, structural and vibrational properties of microcrystalline RbNd(MoO4)(2) / V. V. Atuchin [et al.] // J. Cryst. Growth. - 2011. - Vol. 318, Is. 1. - P. 683-686, DOI 10.1016/j.jcrysgro.2010.09.076. - Cited References: 26 . - ISSN 0022-0248

РУБ Crystallography + Materials Science, Multidisciplinary + Physics, Applied
Рубрики:
MOLYBDENUM TRIOXIDE
   DOUBLE MOLYBDATES
   CRYSTAL-STRUCTURE
   GROWTH
   LASER
   MOO3
Кл.слова (ненормированные):
Crystal structure -- Solid state synthesis -- Molybdate
Аннотация: Rubidium neodymium dimolybdate, RbNd(MoO4)(2), microcrystals have been fabricated by solid state synthesis at T=550-600 degrees C by t=324 ks. Crystal structure of RbNd(MoO4)(2) has been refined by Rietveld method in space group Pbcn with cell parameters a = 5.1772(1) angstrom, b = 18.7293(4) angstrom, and c = 8.2774(1) angstrom (R-B=5.05%). The crystal structure of RbNd(MoO4)(2) consists of layers of MoO4 tetrahedrons cornersharing with NdO8 square antiprisms. These layers are perpendicular to b-axis of the unit cell. About 20 narrow Raman lines have been observed in Raman spectrum recorded for RbNd(MoO4)(2) powder sample. (C) 2010 Elsevier B.V. All rights reserved.

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Доп.точки доступа:
Atuchin, V. V.; Chimitova, O. D.; Gavrilova, T. A.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Kim, S. J.; Surovtsev, N. V.; Bazarov, B. G.; Базаров Б.Г.; Bazarova, Zh.G.; Базарова Ж.Г.; International Conference on Crystal Growth(16 ; 2010 ; Aug. ; 08-13 ; Beijing, China); International Conference on Vapor Growth and Epitaxy(14 ; 2010 ; Aug. ; 08-13 ; Beijing, China)
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20.

Structural investigation of biogenic ferrihydrite nanoparticles dispersion / M. . Balasoiu [et al.] // Optoelectron. Adv. Mater.-Rapid Commun. - 2010. - Vol. 4, Is. 12. - P. 2136-2139. - Cited References: 21. - The financial support from the Grants No.224 it.7 and No.56 it.5 of the Romanian Governmental Plenipotentiary at JINR and the support from the JINR theme No. 04-4-1069-2009/2011 are acknowledged. S.S. Abramchyuk (Advanced Technologies Center, Moscow) for the HRTEM images is acknowledged. . - ISSN 1842-6573

РУБ Materials Science, Multidisciplinary + Optics
Рубрики:
S-LAYER PROTEINS
   METAL NANOPARTICLES
   BIOLOGICAL SYNTHESIS
   BIOSYNTHESIS
   MICROORGANISMS
   FUNGI
Кл.слова (ненормированные):
Bacterial nanoparticles -- Ferrihydrite -- Small angle X-ray scattering -- High-resolution electron microscopy
Аннотация: Structural properties of biogenic ferrihydrite nanoparticles produced by bacteria Klebsiella oxytoca are investigated. Investigations of morphology and size of particles dispersed in water by means of high-resolution transmission electron microscopy and small angle X-ray scattering measurements were performed. By model calculations followed by fitting procedure the structural parameters of a cylinder of radius R = 4.87 +/- 0.02 nm and height L = 2.12 +/- 0.04 nm are obtained.

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Держатели документа:
[Balasoiu, M.
Kuklin, A. I.
Soloviov, D. V.
Arzumanian, G. M.] Joint Inst Nucl Res, Dubna 141980, Russia
[Ischenko, L. A.
Stolyar, S. V.
Iskhakov, R. S.] Siberian Fed Univ, Krasnoyarsk 660041, Russia
[Raikher, Y. L.] RAS, Ural Branch, Inst Continuum Media Mech, Perm 614013, Russia
[Kurkin, T. S.] RAS, Inst Synthet Polymer Mat, Moscow 117393, Russia
[Balasoiu, M.
Aranghel, D.] Natl Inst Phys & Nucl Engn, Bucharest, Romania
[Stolyar, S. V.
Iskhakov, R. S.] RAS, Siberian Branch, Inst Phys, Krasnoyarsk 660036, Russia

Доп.точки доступа:
Balasoiu, M.; Ischenko, L. A.; Stolyar, S. V.; Столяр, Сергей Викторович; Iskhakov, R. S.; Исхаков, Рауф Садыкович; Raikher, Y. L.; Kuklin, A. I.; Soloviov, D. V.; Kurkin, T. S.; Aranghel, D.; Arzumanian, G. M.
}
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