Труды сотрудников института физики

/ N. N. Golovnev [et al.] // Polyhedron. - 2015. - Vol. 85. - P. 493-498, DOI 10.1016/j.poly.2014.09.011. - Cited References:42. - The study has been carried out within the public task of the Ministry ofEducation and Science of the Russian Federation for research engineeringat the Siberian Federal University in 2014. V.V.A. is partly supportedby the Ministry of Education and Science of the Russian Federation. . - ISSN 0277-5387
   Перевод заглавия: Трансформация цис-транс изомеров, спектроскопические и термические свойства Li, Na, K 1,3-диэтил-2-тиобарбитуратных комплексовРУБ Chemistry, Inorganic & Nuclear + Crystallography

Аннотация: Three new complexes of 1,3-diethyl-2-thiobarbituric acid (C8H11N2O2S, HDETBA) with Li+, Na+, K+ alkali ions were synthesized. The complexes have been prepared by neutralization of 1,3-diethyl-2-thiobarbituric acid with the corresponding metal hydroxide in aqueous solution. The colorless crystals have been investigated using X-ray single crystal and powder techniques and characterized by differential scanning calorimetry, thermogravimetry and infrared spectroscopy. The compounds of MDETBA with M = Li and M = Na crystallize in the monoclinic lattice with a = 10.678(1) Å, b = 7.2687(9) Å, c = 13.202(2) Å, β = 108.841(2)°, Z = 4, V = 969.8(2) Å3, S.G. P21/n and a = 10.534(2) Å, b = 7.604(1) Å, c = 14.186(1) Å, β = 108.964(4)°, Z = 4, V = 1074.6(3) Å3, S.G. P21/n, respectively. Сompound KDETBA crystallizes in the orthorhombic lattice with a = 4.2541(6) Å, b = 14.739(2) Å, c = 16.635(3) Å, Z = 4, V = 1043.1(3) Å3, S.G. P212121. In Li(I) and Na(I) complexes, the DETBA− ion is in cis-configuration and, in the K(I) complex, this ion is in trans-configuration. The reason for the transformation from cis- to trans-configuration has been rationalized.

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Держатели документа:
Siberian Fed Univ, Dept Chem, Krasnoyarsk 660041, Russia
SB RAS, Kirensky Inst Phys, Lab Crystal Phys, Krasnoyarsk 660036, Russia
SB RAS, Inst Chem & Chem Technol, Lab Catalyt Convers Small Mol, Krasnoyarsk 660036, Russia
SB RAS, Irkutsk Favorsky Inst Chem, Phys Chem Lab, Irkutsk 664033, Russia
Inst Semicond Phys, Lab Opt Mat & Struct, Novosibirsk 630090, Russia
Tomsk State Univ, Funct Elect Lab, Tomsk 634050, Russia
Novosibirsk State Univ, Lab Semicond & Dielect Mat, Novosibirsk 630090, Russia

Доп.точки доступа:
Golovnev, N. N.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Vereshchagin, Sergey N.; Sterkhova, I. V.; Atuchin, V. V.; Ministry of Education and Science of the Russian Federation

/ M. S. Molokeev [et al.] // Polyhedron. - 2015. - Vol. 98. - P. 113-119, DOI 10.1016/j.poly.2015.05.048. - Cited References: 43. - 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. V.V.A. is grateful to the Ministry of Education and Science of the Russian Federation for financial support of the investigation. . - ISSN 0277-5387
   Перевод заглавия: Кристаллическая структура, спектроскопические и тепловые свойства координационных соединений M(1,3-diethyl-2-thiobarbiturate) M = Rb+, Cs+, Tl+ and NH4+РУБ Chemistry, Inorganic & Nuclear + Crystallography

Аннотация: Four new compounds of 1,3-diethyl-2-thiobarbituric acid (C8H11N2O2S, Hdetba) with Rb+, Cs+, Tl+ and NH4+ ions were prepared by Hdetba neutralization with the metal carbonates or ammonium hydroxide in aqueous solution. The colorless crystals have been investigated using X-ray diffraction techniques, differential scanning calorimetry, thermogravimetry and infrared spectroscopy. The coordination compounds of MDetba with M = Rb, Cs and Tl crystallize in the orthorhombic space group P212121, but compound NH4Detba crystallizes in the triclinic space group P1¯. The MDetba structures were compared at the molecular and supramolecular levels. The Detba- ion in the NH4+ compound forms conformer (A) with two diethyl groups on one side of the ion ring, whereas the Detba- ion in the Rb(I), Cs(I) and Tl(I) compounds forms conformer (B) with two diethyl groups on different sides of the ring. The results of IR spectroscopy and thermal analysis are consistent with the X-ray data. © 2015 Elsevier Ltd.

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Держатели документа:
Laboratory of Crystal Physics, Kirensky Institute of Physics, SB RAS, bld. 38 Akademgorodok 50, Krasnoyarsk, Russian Federation
Department of Physics, Far Eastern State Transport University, 47 Serysheva Str., Khabarovsk, Russian Federation
Department of Chemistry, Siberian Federal University, 79 Svobodny Aven., Krasnoyarsk, Russian Federation
Institute of Chemistry and Chemical Technology, SB RAS, bld. 24 Akademgorodok 50, Krasnoyarsk, Russian Federation
Laboratory of Optical Materials and Structures, Institute of Semiconductor Physics, 13 Lavrentiev Aven., Novosibirsk, Russian Federation
Functional Electronics Laboratory, Tomsk State University, 36 Lenin Aven., Tomsk, Russian Federation
Laboratory of Semiconductor and Dielectric Materials, Novosibirsk State University, 2 Pirogov Str., Novosibirsk, Russian Federation

Доп.точки доступа:
Molokeev, M. S.; Молокеев, Максим Сергеевич; Golovnev, N. N.; Головнёв, Николай Николаевич; Vereshchagin, S. N.; Верещагин С. Н.; Atuchin, V. V.; Атучин, Виктор Валерьевич

/ 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 0022-4766РУБ Chemistry, Inorganic & Nuclear + Chemistry, Physical

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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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.

/ N. N. Golovnev [et al.] // Chem. Phys. Lett. - 2016. - Vol. 653. - P. 54-59, DOI 10.1016/j.cplett.2016.04.059. - Cited References: 50. - 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. X-ray data were obtained with use the analytical equipment of Krasnoyarsk Center of collective use of SB RAS. . - ISSN 0009-2614
   Перевод заглавия: Первые соединения с внешнесферным 1,3-диэтил-2-тиобарбитуратом [M(H2O)6](1,3-диэтил-2-2тиобарбитурат)2·2H2O (M=Co2+, Ni2+): кристаллическая структура, спектроскопия и тепловые свойстваРУБ Chemistry, Physical + Physics, Atomic, Molecular & Chemical

Аннотация: Two new d-element compounds, [Co(H2O)6](Detba)2·2H2O (1) and [Ni(H2O)6](Detba)2·2H2O (2) (HDetba - 1,3-diethyl-2-thiobarbituric acid) were synthesized and characterized by single-crystal and powder X-ray diffraction analysis, TG-DSC and FT-IR. Structural analysis revealed that (1) and (2) are discrete structures, in which M2+ ion (M = Co, Ni) is six-coordinated by water molecules and it forms an octahedron. The outer-sphere Detba- ions and H2O molecules participate in O-H?(O/S) intermolecular hydrogen bonds which form the 2D layer. Thermal decomposition includes the stage of dehydration and the following stage of oxidation of Detba- with a release of CO2, SO2, H2O, NH3 and isocyanate gases. © 2016 Elsevier B.V. All rights reserved.

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Держатели документа:
Department of Chemistry, Siberian Federal University, 79 Svobodny Aven., Krasnoyarsk, Russian Federation
Laboratory of Crystal Physics, Kirensky Institute of Physics, SB RAS, bld. 38, Akademgorodok 50, Krasnoyarsk, Russian Federation
Department of Physics, Far Eastern State Transport University, 47 Seryshev Str., Khabarovsk, Russian Federation
Laboratory of Optical Materials and Structures, Institute of Semiconductor Physics, 13 Lavrentiev Aven., Novosibirsk, Russian Federation
Functional Electronics Laboratory, Tomsk State University, 36 Lenin Aven., Tomsk, Russian Federation
Laboratory of Semiconductor and Dielectric Materials, Novosibirsk State University, 2 Pirogov Str., Novosibirsk, Russian Federation

Доп.точки доступа:
Golovnev, N. N.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Lesnikov, M. K.; Atuchin, V. V.

/ N. N. Golovnev [et al.] // J. Coord. Chem. - 2016. - Vol. 69, Is. 6. - P. 957-965, DOI 10.1080/00958972.2016.1149168. - 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. . - ISSN 0095-8972
   Перевод заглавия: Влияние алкильных заместителей в 1,3-диэтил-2-2тиобарбитуровой кислоты на координационное окружение в M(H2O)2(1,3-диэтил-2-тиобарбутурат)2 M = Ca2+, Sr2+РУБ Chemistry, Inorganic & Nuclear

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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Держатели документа:
Department of Chemistry, Siberian Federal University, Krasnoyarsk, Russian Federation
Laboratory of Crystal Physics, Kirensky Institute of Physics, Krasnoyarsk, Russian Federation
Department of Physics, Far Eastern State Transport University, Khabarovsk, Russian Federation
Laboratory of Optical Materials and Structures, Institute of Semiconductor Physics, Novosibirsk, Russian Federation
Functional Electronics Laboratory, Tomsk State University, Tomsk, Russian Federation
Laboratory of Semiconductor and Dielectric Materials, Novosibirsk State University, Novosibirsk, Russian Federation

Доп.точки доступа:
Golovnev, N. N.; Головнёв, Николай Николаевич; Molokeev, M. S.; Молокеев, Максим Сергеевич; Samoilo, A. S.; Atuchin, V. V.

/ N. N. Golovnev [et al.] // Russ. J. Coord. Chem. - 2017. - Vol. 43, Is. 2. - P. 82-85, DOI 10.1134/S1070328417010031. - Cited References: 21. - This work was carried out at the Siberian Federal University in terms of the state task of the Ministry of Education and Science of the Russian Federation for 2014–2016 (project no. 3049). . - ISSN 1070-3284
Аннотация: The structure of the dimeric complex [Co2(BuOH)4(Detba)4] (I), where НDetba is 1,3-diethyl-2-thiobarbituric acid, and BuOH is butanol-1, is determined (CIF file CCDC 1475273), and its IR spectrum is studied. The crystals are monoclinic: a = 10.7185(5), b = 21.985(1), c = 12.7235(7) Å, β = 92.196(2)°, V = 2996.1(3) Å3, space group P21/c, Z = 2. The Co2+ ions in compound I are joined in pairs by bridging ligands μ2-Detba–−O,O'. In addition, each of them is linked through the O atoms to one terminal Detba–ion and two BuOH molecules to form a trigonal bipyramid СоО5. Hydrogen bonds O–H···O formed by BuOH and Detba– join the binuclear complexes into an infinite chain. The data of IR spectroscopy are consistent with the results of X-ray diffraction analysis.

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Держатели документа:
Siberian Federal University, Krasnoyarsk, Russian Federation
Kirensky Institute of Physics, Siberian Branch, Russian Academy of Sciences, Akademgorodok, Krasnoyarsk, Russian Federation
Far East State Transport University, Khabarovsk, Russian Federation
Nikolaev Institute of Inorganic Chemistry, Siberian Branch, Russian Academy of Sciences, Novosibirsk, Russian Federation
Novosibirsk National Research State University, Novosibirsk, Russian Federation

Доп.точки доступа:
Golovnev, N. N.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Smolentsev, A. I.; Lesnikov, M. K.

/ N. N. Golovnev [et al.] // Polyhedron. - 2017. - Vol. 134. - P. 120-125, DOI 10.1016/j.poly.2017.06.002. - Cited References: 25 . - ISSN 0277-5387
   Перевод заглавия: Координационные эффекты в гидратах 1,3-диэтил-2-тиобарбитуратов марганца(II) и их термическая стабильность
Аннотация: Three new complexes of 1,3-diethyl-thiobarbituric acid (HDetba), barbiturate-bridged 2D Mn(II) polymer [Mn(H2O)2(Detba)2] (1), trinuclear [Mn3(H2O)10(Detba)6] (2) and discrete molecular [Mn(H2O)4(Detba)2]·H2O (3) are synthesized and structurally characterized by the X-ray single crystal technique. In 1–3, the Detba− ions are coordinated to Mn(II) only through O atoms with manganese ions in the octahedral environment. In 1, the Mn(II) ion is coordinated by four μ2 bridge Detba− ions and two terminal H2O molecules. In 2, the Mn1 ion is coordinated by three terminal H2O molecules, two terminal and one μ2 bridge Detba− ion, and Mn2 is connected with two μ2-Detba− ions and four H2O molecules. In 3, the Mn(II) ion is coordinated by two terminal Detba− ions and four terminal H2O molecules. There are intermolecular hydrogen bonds O–H⋯O, O–H⋯S in the structures of 1–3 which form the 3D networks. Structure 2 is stabilized by the π–π interaction. The compounds thermal decomposition comprises dehydration steps and the organic ligand oxidation.

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Держатели документа:
Department of Chemistry, Siberian Federal University, 79 Svobodny Ave., Krasnoyarsk, Russian Federation
Laboratory of Crystal Physics, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, bld. 38 Akademgorodok 50, Krasnoyarsk, Russian Federation
Department of Engineering Physics and Radioelectronic, Siberian Federal University, 79 Svobodny Ave., Krasnoyarsk, Russian Federation
Department of Physics, Far Eastern State Transport University, 47 Seryshev Str., Khabarovsk, Russian Federation
Laboratory of Physical Chemistry, Irkutsk Favorsky Institute of Chemistry, SB RAS, 1 Favorsky, Irkutsk, Russian Federation
Laboratory of Optical Materials and Structures, Institute of Semiconductor Physics, SB RAS, Novosibirsk, Russian Federation
Laboratory of Semiconductor and Dielectric Materials, Novosibirsk State University, Novosibirsk, Russian Federation

Доп.точки доступа:
Golovnev, N. N.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Sterkhova, I. V.; Lesnikov, M. K.; Atuchin, V. V.

/ N. N. Golovnev [et al.] // J. Mol. Struct. - 2018. - Vol. 1171. - P. 488-494, DOI 10.1016/j.molstruc.2018.06.035. - Cited References: 43. - The study was carried out within the public task of the Ministry of Education and Science of the Russian Federation to the Siberian Federal University (4.7666.2017/BP) in 2017–2019 and RFBR according to research projects 17-52-53031. X-ray data from single crystals were obtained with using the analytical equipment of Baikal Center of collective use of SB RAS and with use the analytical equipment of Krasnoyarsk Center of collective use of SB RAS. . - ISSN 0022-2860
   Перевод заглавия: Новые 1,3-диэтил-2-тиобарбитураты 2,2'-бипиридина и 1,10-фенентролина: синтез, кристаллическая структура и термическая стабильность
Аннотация: Co-crystallization of 1,3-diethyl-2-thiobarbituric acid (HDetba) with 2,2′-bipyridine (Bipy) and 1,10-phenanthroline (Phen) results in preparing a salt co-crystal, BipyH(Detba)(HDetba) (1), and the salt, PhenH(Detba)·H2O (2). The compounds are characterized by single–crystal and powder X–ray diffraction and TG-DSC. The nitrogen atoms of BipyH+ adopt a cis conformation and the N–C–C–N torsion angle is −17.3(1)º. There are six intermolecular hydrogen bonds O–H⋯O, N–H⋯O, C–H⋯O and C–H⋯S in (1) which form a 2D plane network. One Detba– ion and one HDetba molecule form a pair by means of O–H⋯O hydrogen bonds. Detba− anions in (2) do not form dimers, they are connected by N–H⋯O, C–H⋯S, and C–H⋯O hydrogen bonds only with PhenH+ cations and water molecules which form a 3D net. Different π−π interactions between the rings are found in (1)−(2).

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Держатели документа:
Siberian Federal University, 79 Svobodny Ave., Krasnoyarsk, Russian Federation
Laboratory of Crystal Physics, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, bld. 38 Akademgorodok 50, Krasnoyarsk, Russian Federation
Department of Physics, Far Eastern State Transport University, 47 Seryshev Str., Khabarovsk, Russian Federation
Favorsky Institute of Chemistry, Siberian Branch, Russian Academy of Sciences, 1 Favorsky, Irkutsk, Russian Federation

Доп.точки доступа:
Golovnev, N. N.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Sterkhova, I. V.; Lesnikov, M. K.