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Yellow-orange emission in Sb3+-doped hexakis(thiocarbamidium) hexabromoindium(III) tribromide / N. N. Golovnev, M. A. Gerasimova, I. M. Belash [et al.] // Inorg. Chem. - 2024. - Vol. 63, Is. 20. - P. 9175-9183, DOI 10.1021/acs.inorgchem.4c00555. - Cited References: 53. - This work was supported by the Russian Science Foundation, project No. 24-43-00006 . - ISSN 0020-1669. - ISSN 1520-510X
Аннотация: A luminescent zero-dimensional organic–inorganic hybrid indium halide (TUH)6[In1–xSbxBr6]Br3 (TU = thiourea, 0 ≤ x ≤ 0.0998) was synthesized via the solvothermal method. In structures, resolved by single-crystal X-ray diffraction, isolated distorted [InBr6]3– and [SbBr6]3– octahedra are linked to organic TUH+ cations by intermolecular N–H···Br and N–H···S hydrogen bonds. The crystals were characterized by elemental analysis, TG-DSC, powder X-ray diffraction, FTIR analysis, and steady-state absorption and photoluminescence spectroscopy. (TUH)6[In1–xSbxBr6]Br3 exhibits a broadband yellow-orange emission centered at 595–602 nm with a half-width of 141–149 nm (0.48–0.52 eV) and a large Stokes shift of 232–238 nm (1.33–1.35 eV). This emission can be attributed to the self-trapped exciton emission of triplet states of the octahedral anion [SbBr6]3– or [InBr6]3–. Two possible emission mechanisms were discussed. Doping with Sb3+ leads to a significant increase in photoluminescence quantum yield from 25.7 at x = 0 to 48.4% at x = 0.0065, when excited at 365 nm, indicating the potential use of (TUH)6[In1–xSbxBr6]Br3 compounds in the field of photonics.

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Держатели документа:
Siberian Federal University, Krasnoyarsk 660041, Russia
Laboratory of Crystal Physics, Kirensky Institute of Physics, Krasnoyarsk 660036, Russia
Department of Physics, Far Eastern State Transport University, Khabarovsk 680021, Russia

Доп.точки доступа:
Golovnev, N. N.; Gerasimova, M. A.; Belash, I. M.; Zolotov, A. O.; Molokeev, M. S.; Молокеев, Максим Сергеевич
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    Photoluminescence of pefloxacindi-ium manganese(II) and zinc(II) tetrahalides / N. N. Golovnev, M. A. Gerasimova, M. S. Molokeev [et al.] // J. Mol. Struct. - 2022. - Vol. 1248. - Ст. 131468, DOI 10.1016/j.molstruc.2021.131468. - Cited References: 42. - The research was funded by RFBR, Krasnoyarsk Territory and Krasnoyarsk Regional Fund of Science, project number 20-43-240007. Authors thank the Centre for Equipment Joint User of School of Petroleum and Natural Gas Engineering of Siberian Federal University, Institute of Chemistry and Chemical Technology SB RAS for their technical support . - ISSN 0022-2860
   Перевод заглавия: Фотолюминесценция тетрагалогенидов марганца(II) и цинка(II) пефлоксацина
Кл.слова (ненормированные):
Manganese and zinc halides -- Pefloxacin -- Ionic compounds -- Photoluminescence -- X-ray diffraction -- Thermal decomposition
Аннотация: Mn2+-based hybrid materials have become the hotspot of current research studies owing to their high photoluminescence quantum yield (PLQY), low-cost, environmental friendliness and stability. For the first time, we report the hydrothermal synthesis of two lead-free zero-dimensional luminescent organic-inorganic hybrid compounds, PefH2[MnBr4] (1) and PefH2[MnCl4] (2) (Pef = pefloxacin). They were characterized by elemental analysis, TG-DSC, single-crystal and powder XRD. Compounds 1–2 exhibit a distorted tetrahedral geometry around the manganese(II) metal center, which is isolated from the same centers by bulky pefloxacindi-ium (PefH22+) ions with a Mn···Mn distance of 7.3 Å. Their structures are stabilized by N—H···O, O—H···X (X = Br, Cl), C—H···O and C—H···X hydrogen bands and π–π stacking interaction. Thermal decomposition starts at T › 230°С for 1 and T › 210°С for 2 and proceeds for several stages. Upon UV excitation compounds exhibit a bright green emission with a moderate PLQY of 45% for 1 and 30% for 2. The influence of the halide ion and metal ion on the photoluminescence properties of isostructural compounds PefH2[MX4] (M = Mn, Zn and X = Br, Cl) is discussed.

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Держатели документа:
Siberian Federal University, 79 Svobodny Prospect, Krasnoyarsk, 660041, Russian Federation
Laboratory of Crystal Physics, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, bld. 38 Akademgorodok 50, Krasnoyarsk, 660036, Russian Federation
Department of Physics, Far Eastern State Transport University, 47 Seryshev Str., Khabarovsk, 680021, Russian Federation
Research and Development Department, Kemerovo State University, 6 Krasnaya Str., Kemerovo, 650000, Russian Federation

Доп.точки доступа:
Golovnev, N. N.; Gerasimova, M. A.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Plyaskin, M. E.; Baronin, M. E.
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    Role of metal-chloride anions in photoluminescence regulations for hybrid metal halides / B. Su, G. Song, M. S. Molokeev [et al.] // J. Phys. Chem. Lett. - 2021. - Vol. 12, Is. 7. - P. 1918-1925, DOI 10.1021/acs.jpclett.1c00182. - Cited References: 40. - This work is supported by the National Natural Science Foundation of China (51961145101 and 51972118), the Fundamental Research Funds for the Central Universities (D2190980), the Guangzhou Science & Technology Project (202007020005), and the Local Innovative and Research Teams Project of Guangdong Pearl River Talents Program (2017BT01X137). This work is also funded by RFBR according to the research project No. 19-52-80003 . - ISSN 1948-7185
   Перевод заглавия: Роль металл-хлорид-анионов в регуляции фотолюминесценции гибридных галогенидов металлов
Кл.слова (ненормированные):
Intra-molecular hydrogen bonds -- Intramolecular interactions -- Luminescence mechanisms -- Organic-inorganic hybrid -- Photoluminescence properties -- Photoluminescence quantum yields -- Photophysical properties -- Structural diversity -- Metal halides
Аннотация: Organic–inorganic hybrid metal halides with emissive organic cations are of great interest due to their structural diversity and interesting photophysical properties. Here, we assemble emissive organic cations (EnrofloH22+) with different metal–chloride anions (Pb2Cl62– to Bi2Cl104– to SnCl62–) to form the new single crystal phases, and thus the photoluminescence properties of the metal halides, including Stokes shift, full width at half-maximum (FWHM), and photoluminescence quantum yield (PLQY) have been studied accordingly. (EnrofloH2)SnCl6·H2O, as an example, possesses narrow FWHM and high PLQY, which are caused by the strong π–π stacking and inter- and intramolecular hydrogen bonds interactions. Compared with EnrofloH22+ cation in solution, the interactions generate a restraining effect and increase the rigid degree of EnrofloH22+ cation in the bulk single crystals. Our work clarifies the photophysical properties of the EnrofloH22+ organic cations by constructing the inter- and intramolecular interactions and boosts the further study of organic–inorganic hybrid metal halides materials with different luminescence mechanisms.

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Держатели документа:
The State Key Laboratory of Luminescent Materials and Devices, Guangdong Provincial Key Laboratory of Fiber Laser Materials and Applied Techniques, School of Materials Science and Technology, South China University of Technology, Guangzhou, 510640, China
Technical Institute of Physics and Chemistry, University of Chinese Academy of Sciences, Beijing, 100190, China
Center of Materials Science and Optoelectronics Engineering, University of the Chinese Academy of Sciences, Beijing, 100049, China
Laboratory of Crystal Physics, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation
Siberian Federal University, Krasnoyarsk, 660041, Russian Federation
Research and Development Department, Kemerovo State University, Kemerovo, 650000, Russian Federation

Доп.точки доступа:
Su, B.; Song, G.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Golovnev, N. N.; Lesnikov, M. K.; Lin, Z.; Xia, Z.
}
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Golovnev, N. N.
Structure of two novel fluoroquinolone salts / N. N. Golovnev, A. D. Vasiliev, A. V. Demina // J. Struct. Chem. - 2021. - Vol. 62, Is. 2. - P. 236-243, DOI 10.1134/S0022476621020074. - Cited References: 23. - The reported study was funded by RFBR, project number 19-52-80003 . - ISSN 0022-4766
Кл.слова (ненормированные):
ciprofloxacinium dichloride -- tetrakis(levofloxacin) tris{hexachlorostannate(IV)} dichloride -- synthesis -- structure -- properties
Аннотация: Fluoroquinolone compounds with the composition CfH2+2, 2Cl–, H2O (CfH2Cl2·H2O (I)) and 4LevoH2+2, 3[SnCl6]2–, 2Cl–, 2H2O ((LevoH2)4[SnCl6]3Cl2·2H2O (II)) (Cf is ciprofloxacin, Levo is levofloxacin) are prepared. Their structures are determined by XRSCD. Crystals I are monoclinic: a = 8.6389(11) Å, b = 14.5486(19) Å, c = 14.8605(19) Å, β = 91.914(3)°, V = 1866.7(4) Å3, space group P21/c, Z = 4. Crystals II are triclinic: a = 12.4821(8) Å, b = 13.8144(8) Å, c = 15.2342(9) Å, α = 84.360(1)°, β = 79.265(1)°, γ = 74.038(1)°, V = 2478.3(3) Å3, space group P1, Z = 1. The structures are stabilized by multiple hydrogen bonds. The photoluminescent properties and thermal stability of compound I are considered.

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Публикация на русском языке Головнев Н. Н. Структура двух новых солей фторхинолонов [Текст] / Н. Н. Головнев, А. Д. Васильев, А. В. Демина // Журн. структ. химии. - 2021. - Т. 62 № 2. - С. 250-257

Держатели документа:
Siberian Federal University, Krasnoyarsk, Russian Federation
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, Russian Federation

Доп.точки доступа:
Vasiliev, A. D.; Васильев, Александр Дмитриевич; Demina, A. V.
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    Luminescent zero-dimensional hybrid lead thiohalide nanostructures for high quantum yield and broadband excitation / N. N. Golovnev, A. S. Aleksandrovsky, M. A. Gerasimova [et al.] // ACS Appl. Nano Mat. - 2021. - Vol. 4, Is. 4. - P. 3654-3663, DOI 10.1021/acsanm.1c00162. - Cited References: 55. - This work is supported by the RFBR according to the research project No. 19-52-80003. This work is also supported by the National Natural Science Foundation of China (51961145101). V.M. thanks Russian Foundation for Basic Research (project number 19-03-00043) for funding. The use of equipment of Krasnoyarsk Regional Center of Research Equipment of Federal Research Center “Krasnoyarsk Science Center SB RAS” is acknowledged. The authors thank JSCC RAS for providing computational resources . - ISSN 2574-0970
   Перевод заглавия: Наноструктуры люминесцентных нульразмерных гибридных тиогалогенов свинца для высокого квантового выхода и широкополосного спектра возбуждения
Кл.слова (ненормированные):
Zero-dimensional hybrid metal halide -- Luminescence -- Quantum yield -- Mechanochemical synthesis -- X-ray diffraction -- Dimethylthiourea
Аннотация: Luminescent trans-[Pb(DMTU-S)4Cl2] (DMTU: N,N′-dimethylthiourea) was designed and prepared via either mechanochemical or solvothermal methods, and the structures of DMTU and trans-[Pb(DMTU-S)4Cl2] have been resolved using X-ray single-crystal diffraction. Upon excitation over broadband covering the range from 450 to 250 nm, trans-[Pb(DMTU-S)4Cl2] shows yellow-green emission peaking at 549 nm with a spectral width of 110 nm, which is assigned to the triplet–singlet transition of Pb2+ ions within distorted heterogeneous S4Cl2 octahedra. The broadband excitation comprised singlet–singlet transitions of Pb2+ ions and energy transfer from orbitals involving those of organic ligands. Simultaneous analysis of the luminescent bandwidth and Stokes shift gives for Pb2+ ions in S4Cl2 octahedra the value of the Huang–Rhys parameter S = 4.25 and the energy of phonon involved in the formation of the luminescence spectrum of the order of 90 meV. Quantum yield as high as 91% is detected for excitation at 365 nm. This high quantum yield indicates the absence of noticeable concentration quenching at an average distance of 9.4 Å between the Pb2+ ions within the structure of trans-[Pb(DMTU)4Cl2]. The weak spin–orbit intersystem crossing is deduced from a high photoluminescence quantum yield (PLQY) value. Time dependent-density functional theory (TD-DFT) calculations of the nanocluster indicate the red shift of absorption bands in Pb(DMTU)4Cl2 with respect to parent DMTU. The high-performance photoluminescence and stability demonstrated promising applications in photonics.

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Держатели документа:
Siberian Federal University, Krasnoyarsk, 660041, Russian Federation
Department of Chemistry, Lomonosov Moscow State University, Moscow, 119991, Russian Federation
The State Key Laboratory of Luminescent Materials and Devices, Guangdong Provincial Key Laboratory of Fiber Laser Materials and Applied Techniques, School of Materials Science and Technology, South China University of Technology, Guangzhou, 510641, China
Laboratory of Crystal Physics, Kirensky Institute of Physics, Federal Research Center, KSC, SB, RAS, Krasnoyarsk, 660036, Russian Federation
Research and Development Department, Kemerovo State University, Kemerovo 650000, Russian Federation

Доп.точки доступа:
Golovnev, N. N.; Aleksandrovsky, A. S.; Александровский, Александр Сергеевич; Gerasimova, M. A.; Tomilin, F. N.; Томилин, Феликс Николаевич; Mironov, V. A.; Demina, A. V.; Xia, Z.; Molokeev, M. S.; Молокеев, Максим Сергеевич
}
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    Two new Cu(II) and Ni(II) 1,10-phenanthroline complexes with anions of barbituric acids in the outer sphere: Synthesis, structure, spectroscopic, magnetic and thermal properties / N. N. Golovnev, M. S. Molokeev, I. V. Sterkhova [et al.] // J. Mol. Struct. - 2020. - Vol. 1219. - Ст. 128526, DOI 10.1016/j.molstruc.2020.128526. - Cited References: 40. - The study was funded by RFBR according to the research project № 19-52-80003 . X-ray data from single crystals were obtained with use the analytical equipment of Baikal Center of collective use of SB RAS and powder pattern were obtained with use the analytical equipment of Krasnoyarsk Center of collective use of SB RAS . - ISSN 0022-2860
   Перевод заглавия: Два новых комплекса 1,10-фенантролина Cu (II) и Ni (II) с анионами барбитуровой кислоты во внешней сфере: синтез, структура, спектроскопические, магнитные и термические свойства
Кл.слова (ненормированные):
Barbituric acids -- Phenanthroline complexes -- X-ray diffraction -- Thermal -- Spectroscopic and magnetic properties
Аннотация: Two new complexes [Cu(Phen)2(H2O)](Hba)2∙3H2O (1) and [Ni(Phen)3](Htba)2]∙Phen∙2H2O (2) (Phen = 1,10-phenanthroline, Hba− = barbiturate ion, Htba− = thiobarbiturate ion) have been synthesized and characterized by elemental analysis, single-crystal and powder XRD, magnetic measurements, TG-DSC, FT-IR, and Vis absorption spectra. Complex 1 shows a distorted square pyramidal geometry around the copper (II) metal center. The coordination around the Ni atom is a distorted octahedron NiN6. The 3D and 2D supramolecular structures of 1 and 2 are formed respectively by intermolecular H-bonds. Two N–H⋯O hydrogen bonds in 1, and N–H⋯O, N–H⋯S hydrogen bonds in 2 form infinite chains. As a result of π–π interactions, similar 4-membered zigzag chains in structures 1 and 2 respectively are formed.

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Держатели документа:
Siberian Federal University, 79 Svobodny Ave., Krasnoyarsk, 660041, Russian Federation
Laboratory of Crystal Physics, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Bld. 38 Akademgorodok 50, Krasnoyarsk, 660036, Russian Federation
Department of Physics, Far Eastern State Transport University, 47 Seryshev Str., Khabarovsk, 680021, Russian Federation
Favorsky Institute of Chemistry, Siberian Branch, Russian Academy of Sciences, 1 Favorsky, Irkutsk, 664033, Russian Federation
Laboratory of Magnetic Dynamics, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Bld. 38 Akademgorodok 50, Krasnoyarsk, 660036, Russian Federation

Доп.точки доступа:
Golovnev, N. N.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Sterkhova, I. V.; Lesnikov, M. K.; Demina, A. V.; Patrin, G. S.; Патрин, Геннадий Семёнович
}
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Hydrates of lanthanide(III) 2-thiobarbiturates: synthesis, structure, and thermal decomposition / N. N. Golovnev, M. S. Molokeev, M. K. Lesnikov, A. S. Samoilo // Russ. J. Inorg. Chem. - 2020. - Vol. 65, Is. 7. - P. 999-1005, DOI 10.1134/S0036023620070098. - Cited References: 22. - This study was financially supported by the Russian Foundation for Basic Research within scientific project no. 19-52-80003 . - ISSN 0036-0236
Кл.слова (ненормированные):
lanthanides(III) -- thiobarbiturates -- hydrates -- structure -- stability
Аннотация: The hydrates Ln(Htba)3 ∙ 3H2O (Ln = Yb (I), Er (II), Ho (III); Н2tba = 2-thiobarbituric acid), Ln(Htba)3 ∙ 2H2O and Ln(Htba)3 ∙ 8H2O were crystallized from aqueous solutions. According to single-crystal X-ray diffraction analysis data, the structure of monoclinic crystals of isostructural complexes I–III was [Ln2(H2O)6(μ2-Htba-О,O')4(Htba-О)2]n. The formation of isostructural Ln(Htba) ∙ 2H2O (Ln = La, Ce, Eu, Yb, Lu), Ln(Htba)3 ∙ 8H2O (Ln = Eu, Tb, Ho, Yb) and Y(Htba)3 ∙ nH2O (n = 2, 8) was confirmed by the comparison of X-ray diffraction patterns, and their composition was determined by elemental and thermal analyses. The stability of crystal hydrates under heating in an air atmosphere and in contact with their saturated solutions was studied.

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Публикация на русском языке Гидраты 2-тиобарбитуратов лантаноидов(III): синтез, структура и термическое разложение [Текст] / Н. Н. Головнев, М. С. Молокеев, М. К. Лесников, А. С. Самойло // Журн. неорг. химии. - 2020. - Т. 65 № 7. - С. 915-921

Держатели документа:
Siberian Federal University, Krasnoyarsk, 660041, Russian Federation
Kirenskii Institute of Physics, Federal Research Center “Krasnoyarsk Scientific Center,” Siberian Branch, Russian Academy of Sciences, Krasnoyarsk, 660036, Russian Federation
Far Eastern State Transport University, Khabarovsk, 680021, Russian Federation

Доп.точки доступа:
Golovnev, N. N.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Lesnikov, M. K.; Samoilo, A. S.
}
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Crystal Structure of Norfloxacinium and 2,2 '-Bipyridyl-1 '-Ium 2-Thiobarbiturates / N. N. Golovnev, M. S. Molokeev, I. V. Sterkhova, M. K. Lesnikov // J. Struct. Chem. - 2020. - Vol. 61, Is. 10. - P. 1639-1647, DOI 10.1134/S0022476620100170. - Cited References: 33. - The reported study was funded by RFBR, project number 19-52-80003 . - ISSN 0022-4766. - ISSN 1573-8779

РУБ Chemistry, Inorganic & Nuclear + Chemistry, Physical
Рубрики:
THERMAL-STABILITY
ACID
FORMS
Кл.слова (ненормированные):
2,2 '-dipyridynium and norfloxacinium 2-thiobarbiturates -- synthesis -- structure -- thermal stability
Аннотация: Organic salts with the composition NfH2(Htba)·6H2O (I) and BipyH(Htba)·2H2O (II) (Н2tba is 2-thiobarbituric acid, NfH is norfloxacin and Bipy is 2,2′-dipyridyl) are prepared. Their structures are determined by XRD (CCDC cif-file No. 1967494-1967495). Crystals I are triclinic: a = 11.8821(4) Å, b = 11.9959(5) Å, c = 12.0038(4) Å, α = 119.835(1)°, β = 107.691(1)°, γ = 95.237(1)°, V = 1351.80(9) Å3, space group P-1, Z = 2. Crystals II are monoclinic: a = 7.9587(2) Å, b = 19.6272(4) Å, c = 10.1118(2) Å, β = 98.118(1)°, V = 1563.71(6) Å3, space group P21/n, Z = 4. The structures are stabilized by numerous hydrogen bonds and π–π interactions involving Нtba−, NfH+2, and BipyH+ ions. Thermal decomposition of these compounds in air includes dehydration and oxidative degradation stages.

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Публикация на русском языке Кристаллическая структура 2-тиобарбитуратов норфлоксациниума и 2,2'-дипиридил-1'-иума [Текст] / Н. Н. Головнев, М. С. Молокеев, И. В. Стерхова, М. К. Лесников // Журн. структ. химии. - 2020. - Т. 61 № 10. - С. 1724-1733

Держатели документа:
Siberian Fed Univ, Krasnoyarsk, Russia.
Russian Acad Sci, Fed Res Ctr KSC, Kirensky Inst Phys, Siberian Branch, Krasnoyarsk, Russia.
Far Eastern State Transport Univ, Khabarovsk, Russia.
Russian Acad Sci, Favorsky Inst Chem, Siberian Branch, Irkutsk, Russia.

Доп.точки доступа:
Golovnev, N. N.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Sterkhova, I., V; Lesnikov, M. K.; RFBRRussian Foundation for Basic Research (RFBR) [19-52-80003]
}
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Structure of Barbituratobis(2,2'-Dipyridyl)copper(II) Heptahydrate / N. N. Golovnev [et al.] // Russ. J. Coord. Chem. - 2019. - Vol. 45, Is. 8. - P. 569-572, DOI 10.1134/S1070328419080037. - Cited References: 25. - This work was supported by the Ministry of Education and Science of the Russian Federation in the framework of the state task for the Siberian Federal University for 2017-2019 (4.7666.2017/BCh). . - ISSN 1070-3284. - ISSN 1608-3318

РУБ Chemistry, Inorganic & Nuclear
Рубрики:
IONIC CO-CRYSTALS
   BARBITURIC-ACID
   COMPLEXES
   STATE
Кл.слова (ненормированные):
copper(II) -- barbituric acid -- 2,2 '-dipyridyl -- complex -- structure -- properties
Аннотация: The structure of the complex [Cu(Bipy)2(BA)] ∙ 7H2O (I), where Bipy is 2,2'-dipyridyl, and BA2– is the barbituric acid anion (H2BA), is determined (CIF file CCDC no. 1887338). The thermal decomposition and IR spectrum of complex I are studied. The crystals are orthorhombic: a = 26.118(3), b = 27.685(3), c = 15.683(2) Å, V = 11 370(2) Å3, space group Fdd2, Z = 16. The discrete structure of the polar crystal consists of neutral [Cu(Bipy)2(BA)] particles and molecules of crystallisation water . The Cu2+ ion is bound to the N atoms of two bidentate Bipy molecules and the N atom of the BA2− ion at the vertices of the trigonal bipyramid CuN5. Compound I is the first example of the metal complex only with the N-coordinated anions of barbituric acid (BA2−, НBA−). The structure is stabilized by hydrogen bonds O−H∙∙∙O and N−H∙∙∙O to form a three-dimensional network with the π–π interaction between the Bipy molecules. The compound begins to lose water at ~50°С and is completely dehydrated above 200°С.

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Публикация на русском языке Структура гаптагидрата барбитурато-бис-(2,2'-дипиридил)-меди(II) [Текст] / Н. Н. Головнев [и др.] // Координ. химия. - 2019. - Т. 45 № 8. - С. 481-484

Держатели документа:
Siberian Fed Univ, Krasnoyarsk, Russia.
Russian Acad Sci, Kirenskii Inst Phys, Siberian Branch, Krasnoyarsk, Russia.
Far East State Transport Univ, Khabarovsk, Russia.
Russian Acad Sci, Favorskii Inst Chem, Siberian Branch, Irkutsk, Russia.

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Golovnev, N. N.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Sterkhova, I. V.; Lesnikov, M. K.; Ministry of Education and Science of the Russian Federation [4.7666.2017/BCh]
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10.

Structure of bis(2-Thiobarbiturate)Tris (2,2-Bipyridyl)Nickel(II) Hexahydrate / N. N. Golovnev [et al.] // J. Struct. Chem. - 2019. - Vol. 60, Is. 1. - P. 111-116, DOI 10.1134/S0022476619010153. - Cited References: 15. - The work was performed within the State Task of the Ministry of Education and Science of the RF to the Siberian Federal University for 2017-2019 (4.7666.2017/BCh) using the equipment of the Baikal Analytical Center for Collective Use, the Siberian Branch of the RAS. . - ISSN 0022-4766
Кл.слова (ненормированные):
nickel(II) -- barbituric acid -- 2,2′-bipyridyl -- mixed-ligand complex -- structure -- thermal stability
Аннотация: The [Ni(Bipy)3](Htba)2·6H2O (I) complex (Bipy is 2,2′-bipyridyl, H2tba is 2-thiobarbituric acid) is synthesized and its structure is determined by single crystal XRD (cif-file CCDC No. 1836529). The crystals of I are monoclinic: a = 13.6618(6) Å, b = 23.9441(9) Å, c = 25.4335(8) Å, β = 93.091(1)°, V = 8307.7(5), space group P21/c, Z = 8. Via multiple intermolecular N–H⋯O, O–H⋯O, and C–H⋯S hydrogen bonds (HBs), the Htba− ions and water molecules form channels within which [Ni(Bipy)3]2+ cations are located. The Bipy molecules and the Htba− ions are involved in C–H⋯O HBs and the π−π interaction. The results of the thermal analysis and IR spectroscopy agree with the single crystal XRD data.

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Публикация на русском языке Структура гексагидрата бис(2-тиобарбитурата)трис(2,2-дипиридил)никеля(II) [Текст] / Н. Н. Головнев [и др.] // Журн. структ. химии. - 2019. - Т. 60 № 1. - С. 118-123

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
Favorsky Institute of Chemistry, Siberian Branch, Russian Academy of Sciences, Irkutsk, Russian Federation

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