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Heteronuclear µ-vinylidene complexes containing Re, Cu, Fe, Pt, Pd. Synthesis, structure, IR and NMR spectra [Text] / A. B. Antonova, O. S. Chudin [et al.] // Carbene Chemistry Conference The Ocean Maya. - P. 38

Доп.точки доступа:
Antonova, A.B.; Chudin, O.S.; Rubaylo, A.I.; Pavlenko, N.I.; Sokolenko, W.A.; Verpekin, V.V.; Vasiliev, A.D.; Semeikin, O.V.; Carbene Chemistry Conference The Ocean Maya(2009 ; FEB ; 18-21 ; Playa del Carmen , Mexico)
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    Structure and vibrational spectroscopy of C82 fullerenol valent isomers: An experimental and theoretical joint study / F. N. Tomilin, P. V. Artyushenko, I. A. Shchugoreva [et al.] // Molecules. - 2023. - Vol. 28, Is. 4. - Ст. 1569, DOI 10.3390/molecules28041569. - Cited References: 57. - Synthesis and spectroscopic study of the Gd@C82OxHy complexes were supported by the Ministry of Science and Higher Education of the Russian Federation under project FWES-2022-0005. Molecular design of the fullerene derivatives was supported by the National Research Foundation of the Republic of Korea, grant NRF 2021R1A2C1010455. DFTB3 electronic structure calculations were supported by Project FSWM-2020-0033 of the Russian Ministry of Science and Education . - ISSN 1420-3049
   Перевод заглавия: Структура и колебательная спектроскопия валентных изомеров фуллеренола C82: совместное экспериментальное и теоретическое исследование
Кл.слова (ненормированные):
C82 -- Gd endohedral complexes -- biomedical applications -- fullerenols -- DFTB3 electronic structure calculations -- IR spectra
Аннотация: Gd@C82OxHy endohedral complexes for advanced biomedical applications (computer tomography, cancer treatment, etc.) were synthesized using high-frequency arc plasma discharge through a mixture of graphite and Gd2O3 oxide. The Gd@C82 endohedral complex was isolated by high-efficiency liquid chromatography and consequently oxidized with the formation of a family of Gd endohedral fullerenols with gross formula Gd@C82O8(OH)20. Fourier-transformed infrared (FTIR) spectroscopy was used to study the structure and spectroscopic properties of the complexes in combination with the DFTB3 electronic structure calculations and infrared spectra simulations. It was shown that the main IR spectral features are formed by a fullerenole C82 cage that allows one to consider the force constants at the DFTB3 level of theory without consideration of gadolinium endohedral ions inside the carbon cage. Based on the comparison of experimental FTIR and theoretical DFTB3 IR spectra, it was found that oxidation of the C82 cage causes the formation of Gd@C82O28H20, with a breakdown of the integrity of the parent C82 cage with the formation of pores between neighboring carbonyl and carboxyl groups. The Gd@C82O6(OOH)2(OH)18 endohedral complex with epoxy, carbonyl and carboxyl groups was considered the most reliable fullerenole structural model.

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Держатели документа:
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk 660036, Russia
School of Non-Ferrous Metals and Materials Science, Siberian Federal University, Krasnoyarsk 660041, Russia
Laboratory for Digital Controlled Drugs and Theranostics, Federal Research Center Krasnoyarsk Scientific Center of the Siberian Branch of the RAS, Krasnoyarsk 660036, Russia
Laboratory for Biomolecular and Medical Technologies, Prof. V.F. Voino-Yasenetsky Krasnoyarsk State Medical University, Krasnoyarsk 660022, Russia
Department of Physics, Tomsk State University, Tomsk 634050, Russia
Department of Chemistry, Kyungpook National University, Daegu 41566, Republic of Korea

Доп.точки доступа:
Tomilin, F. N.; Томилин, Феликс Николаевич; Artyushenko, P. V.; Shchugoreva, I. A.; Rogova, A. V.; Vnukova, N. G.; Внукова, Наталья Григорьевна; Churilov, G. N.; Чурилов, Григорий Николаевич; Shestakov, N. P.; Шестаков, Николай Петрович; Tchaikovskaya, O. N.; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Avramov, P. V.
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Structure, UV spectroscopic and electrochemical properties of 2-methyl-8-quinolinolato rhodium (I) complexes, containing carbonyl, triphenylphosphine or triphenylphosphite ligands / V. V. Verpekin, A. D. Vasiliev, N. G. Maksimov [et al.] // J. Mol. Struct. - 2022. - Vol. 1249. - Ст. 131557, DOI 10.1016/j.molstruc.2021.131557. - Cited References: 31. - This work was conducted within the framework of the budget project # 121031500209-6 for Institute of Chemistry and Chemical Technology SB RAS using the equipment of Krasnoyarsk Regional Research Equipment center of Federal Research center, SB RAS. Authors are grateful to Alexander A. Kondrasenko for NMR measurements . - ISSN 0022-2860
Кл.слова (ненормированные):
Rhodium -- 2-methyl-8-quinolinolate -- Carbonyl -- Triphenylphosphine -- Triphenylphosphite -- Electrochemistry -- UV spectroscopy -- X-ray structure
Аннотация: The known Rh(2-Me-8-Oxq)(CO)2 complex (1) was prepared through treatment of dicarbonyl(acetylacetonate)rhodium (I) with 2-methyl-8-hydroxyquinoline for the first time. The reactions of 1 with triphenylphosphine and triphenylphosphite result in complexes Rh(2-Me-8-Oxq)(PPh3)(CO) (2) and Rh(2-Me-8-Oxq)[P(OPh)3](CO) (3) that were characterized by IR and NMR spectroscopy. The structures of complexes 2 and 3 were determined by single-crystal X-ray diffraction analysis. The complexes show the 2-methyl-8-quinolinolato ligand in the expected coordination mode with a slightly disordered square planar geometry at the rhodium center. In the crystal, molecules of Rh(2-Ме-8-Oxq)(CO)(PPh3) (2) form centrosymmetric dimers due to π-stacking interactions. No intermolecular contacts are observed in the crystal of 3. The UV spectroscopic and electrochemical properties of complexes 1–3 were studied. Their electronic spectra in CH3CN show three quinoline-centered absorptions. The electrochemical study revealed that the oxidation of the complexes 1–3 is two-electron and leads to the formation of dication Rh (III) species while their reduction gives radical anions, which undergoes rapid decomposition.

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Держатели документа:
Institute of Chemistry and Chemical Technology SB RAS, Federal Research Center “Krasnoyarsk Science Center SB RAS”, Akademgorodok, 50-24, Krasnoyarsk, 660036, Russian Federation
Institute of Physics SB RAS, Federal Research Center “Krasnoyarsk Science Center SB RAS”, Akademgorodok, 50-38, Krasnoyarsk, 660036, Russian Federation
Siberian Federal University, Svobodny Prospect, 79, Krasnoyarsk, 660041, Russian Federation

Доп.точки доступа:
Verpekin, V. V.; Vasiliev, A. D.; Васильев, Александр Дмитриевич; Maksimov, N. G.; Burmakina, G. V.; Zimonin, D. V.; Nedelina, T. S.; Chudin, O. S.; Rubaylo, A. I.
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Chemistry of vinylidene complexes—XXVII—new µ-vinylidene MnPt complexes with platinum-coordinated 1-adamantyl isocyanide ligand: spectroscopic, structural and electrochemical study / V. V. Verpekin, O. S. Chudin, A. A. Kondrasenko [et al.] // Transition Met. Chem. - 2022. - Vol. 47. Is. 7-8. - P. 283-292, DOI 10.1007/s11243-022-00511-w. - Cited References: 46. - This work was conducted within the framework of the budget project 0287–2021-0012 for Institute of Chemistry and Chemical Technology SB RAS . - ISSN 0340-4285
Кл.слова (ненормированные):
Binary alloys -- Cyanides -- Ligands -- Manganese alloys -- Nuclear magnetic resonance spectroscopy -- Platinum compounds -- Redox reactions -- Chemical oxidation -- Electrochemical studies -- Isocyanide ligands -- Redox property -- Spectroscopic studies -- Structural studies -- Vinylidene complexes -- X-ray diffraction studies -- Platinum alloys
Аннотация: New binuclear MnPt µ-vinylidene complexes Cp(CO)2Mn(µ-C=CHPh)Pt(CN–Ad)(L) [L=PPh3 (1a), P(OPri)3 (2a)] bearing a terminal platinum-coordinated 1-adamantyl isocyanide ligand were prepared by the treatment of Cp(CO)2Mn(µ-C=CHPh)Pt(CO)(L) [L=PPh3 (1b), P(OPri)3 (2b)] with CN-Ad. At the same time the reaction between Cp(CO)2Mn(µ-C=CHPh)Pt(L)2 [L=PPh3 (1c), P(OPri)3 (2c)] and CN-Ad did not proceed. The new complexes were characterized by IR and 1H, 13C, 31P NMR spectroscopy. The molecular structure of Cp(CO)2Mn(µ-C=CHPh)Pt(CN–Ad)[P(OPri)3] (2a) was determined by an X-ray diffraction study. The redox properties of the new complexes and their reactions of chemical oxidation were studied. An influence of the platinum-coordinated 1-adamantyl isocyanide ligand on the properties of the synthesized µ-vinylidene compounds 1a and 2a was revealed.

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Держатели документа:
Institute of Chemistry and Chemical Technology SB RAS, Federal Research Center “Krasnoyarsk Science Center SB RAS”, Akademgorodok, 50-24, Krasnoyarsk, 660036, Russian Federation
Institute of Physics SB RAS, Federal Research Center “Krasnoyarsk Science Center SB RAS”, Akademgorodok, 50-38, Krasnoyarsk, 660036, Russian Federation
Siberian Federal University, Svobodny Prospect, 79, Krasnoyarsk, 660041, Russian Federation

Доп.точки доступа:
Verpekin, V. V.; Chudin, O. S.; Kondrasenko, A. A.; Burmakina, G. V.; Vasiliev, A. D.; Васильев, Александр Дмитриевич; Zimonin, D. V.; Rubaylo, A. I.
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Trinuclear ReFePt clusters with a μ3-phenylvinylidene ligand: synthetic approaches, rearrangement of vinylidene, and redox-induced transformations / V. V. Verpekin, O. S. Chudin, A. D. Vasiliev [et al.] // Dalton Trans. - 2022. - Vol. 51, Is. 1. - P. 324-339, DOI 10.1039/d1dt03750a. - Cited References: 66. - This work was conducted within the framework of the budget project # 0287-2021-0012 for Institute of Chemistry and Chemical Technology SB RAS using the equipment of Krasnoyarsk Regional Research Equipment Centre of Federal Research Centre, SB RAS . - ISSN 1477-9226. - ISSN 1477-9234

РУБ Chemistry, Inorganic & Nuclear
Рубрики:
RAY CRYSTAL-STRUCTURE
METAL-METAL
HETEROBIMETALLIC COMPLEXES
Аннотация: A series of trinuclear μ3-vinylidene ReFePt clusters were synthesized by the application of two approaches: (i) reactions of the binuclear RePt μ-vinylidene complexes with Fe2(CO)9; (ii) ligand substitution or exchange reactions at the Pt atom in the synthesized ReFePt clusters. The molecular structures of CpReFePt(μ3-C==CHPh)(CO)5[P(OEt)3]L [L = CO; P(OEt)3] were determined by an X-ray diffraction study. The obtained compounds were studied by IR and 1H, 13C and 31P NMR spectroscopy. The spectroscopic study revealed that the clusters CpReFePt(μ3-C==CHPh)(CO)5[P(OEt)3]L [L = CO; P(OEt)3] and CpReFePt(μ3-C==CHPh)(CO)6[P(OPri)3] undergo isomerization upon dissolution, resulting in three isomers with different positions of the μ3-vinylidene ligand over the ReFePt core. The redox properties of the clusters were studied by electrochemical methods. The relatively stable cation-radicals obtained by chemical oxidation of CpReFePt(μ3-C==CHPh)(CO)6[P(OPri)3] and CpReFePt(μ3-C==CHPh)(CO)5[P(OEt)3]2 with ferrocenium tetrafluoroborate were characterized by EPR spectroscopy.

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Держатели документа:
SB RAS, Inst Chem & Chem Technol, Fed Res Ctr, Krasnoyarsk Sci Ctr, Akademgorodok 50-24, Krasnoyarsk 660036, Russia.
SB RAS, Inst Phys, Fed Res Ctr, Krasnoyarsk Sci Ctr, Akademgorodok 50-38, Krasnoyarsk 660036, Russia.
Siberian Fed Univ, Svobodny Prospect 79, Krasnoyarsk 660041, Russia.

Доп.точки доступа:
Verpekin, Victor V.; Chudin, Oleg S.; Vasiliev, A. D.; Васильев, Александр Дмитриевич; Kondrasenko, Alexander A.; Shor, Aleksey M.; Burmakina, G. V.; Zimonin, D. V.; Maksimov, N. G.; Rubaylo, A. I.; [0287-2021-0012]
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    Alloying Cs+ into Rb2ZrCl6:Te4+ toward highly efficient and stable perovskite variants / J. Zhou, X. M. Rong, M. S. Molokeev [et al.] // Mat. Chem. Front. - 2021. - Vol. 5, Is. 13. - P. 4997-5003, DOI 10.1039/d1qm00302j. - Cited References: 37. - This work is supported by Beijing Natural Science Foundation (No. 2214068), the National Natural Science Foundation of China (No. 61705003), and the Beijing Technology and Business University Research Team Construction Project (No. PXM2019_014213_000007 and PXM2020_014213_000017) . - ISSN 2052-1537
   Перевод заглавия: Легирование Cs+ в Rb2ZrCl6:Te4 + для получения высокоэффективного и стабильного перовскита

РУБ Chemistry, Multidisciplinary + Materials Science, Multidisciplinary
Рубрики:
TELLER
   PHOTOLUMINESCENCE
   TELLURIUM(IV)
   COMPLEXES
   PHOSPHORS
Аннотация: Doping or alloying in perovskites and perovskite variants provides a promising way for modulating the electronic and photoluminescence properties and the structural stability. In this work, a series of yellow-emitting Rb2−xCsxZrCl6:Te4+ solid solution phosphors were prepared by a hydrothermal method, and their broad emission is assigned to the triplet 3P1–1S0 self-trapped excitons (STEs). Upon increasing the alloying ion Cs+, the yellow emission can be greatly enhanced by a stronger Jahn–Teller distortion. Moreover, Cs2ZrCl6:Te4+ shows a high photoluminescence quantum yield (PLQY), and impressive thermal and anti-water stability. This doping–alloying strategy presents a new direction towards designing lead-free, high-performance and stable perovskite derivatives.

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Beijng Technol & Business Univ, Dept Phys, Beijing 100048, Peoples R China.
Shenzhen Univ, Guangdong Res Ctr Interfacial Engn Funct Mat, Shenzhen Engn Lab Adv Technol Ceram, Shenzhen Key Lab Special Funct Mat,Coll Mat Sci &, Shenzhen 518060, Peoples R China.
SB RAS, Kirensky Inst Phys, Lab Crystal Phys, Krasnoyarsk 660036, Russia.
Siberian Fed Univ, Krasnoyarsk 660041, Russia.
Far Eastern State Transport Univ, Dept Phys, Khabarovsk 680021, Russia.

Доп.точки доступа:
Zhou, Jun; Rong, Ximing; Molokeev, M. S.; Молокеев, Максим Сергеевич; Wang, Yulong; Yun, Xiangyan; Xu, Denghui; Li, Xiong; Beijing Natural Science FoundationBeijing Natural Science Foundation [2214068]; National Natural Science Foundation of ChinaNational Natural Science Foundation of China (NSFC) [61705003]; Beijing Technology and Business University Research Team Construction Project [PXM2019_014213_000007, PXM2020_014213_000017]
}
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    Synthesis, mass spectroscopy detection, and density functional theory investigations of the Gd endohedral complexes of C82 fullerenols / A. A. Shakirova, F. N. Tomilin, V. A. Pomogaev [et al.] // Computation. - 2021. - Vol. 9, Is. 5. - Ст. 58, DOI 10.3390/computation9050058. - Cited References: 41. - The experimental results were funded by RFBR project No. 18-29-19003 MK. The quantum chemical study was funded by project 0721-2020-0033 of the Russian Ministry of Science and Education. The collaboration and coordination of Russian and Korean teams was supported by Collaborative NRF-RFBR grant (Korean ID: NRF-2019K2A9A1A06100125; Russian ID: Project No. 19-53-51005 NIFa RFFI-Korea) and NRF 2021R1A2C1010455 grant . - ISSN 2079-3197
   Перевод заглавия: Синтез, масс-спектроскопическое определение и исследование теорией функционала плотности Gd-эндоэдральных комплексов фуллеренолов C82

РУБ Mathematics, Interdisciplinary Applications
Рубрики:
ZETA VALENCE QUALITY
   BIOLOGICAL-ACTIVITY
   BASIS-SETS
   TOXICITY
Кл.слова (ненормированные):
endohedral fullerenes -- density functional theory -- antioxidant activity -- reactive oxygen species -- magnetic resonance imaging
Аннотация: Gd endohedral complexes of C82 fullerenols were synthesized and mass spectrometry analysis of their composition was carried out. It was established that the synthesis yields a series of fullerenols Gd@C82Ox(OH)y (x = 0, 3; y = 8, 16, 24, 36, 44). The atomic and electronic structure and properties of the synthesized fullerenols were investigated using the density functional theory calculations. It was shown that the presence of endohedral gadolinium increases the reactivity of fullerenols. It is proposed that the high-spin endohedral fullerenols are promising candidates for application in magnetic resonance imaging.

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Держатели документа:
Siberian Fed Univ, Dept Biophys, Sch Engn Phys & Radio Elect, Sch Petr & Gas Engn, Pr Svobodny 79, Krasnoyarsk 660041, Russia.
Russian Acad Sci, Siberian Branch, Kirensky Inst Phys, Krasnoyarsk Sci Ctr, Akad Gorodok 50, Krasnoyarsk 660036, Russia.
Natl Res Tomsk State Univ, Dept Phys, Lenina Ave 36, Toms 634050, Russia.
Kyungpook Natl Univ, Dept Chem, 80 Daehak Ro, Daegu 41566, South Korea.
Kyungpook Natl Univ, Green Nano Mat Res Ctr, 80 Daehak Ro, Daegu 41566, South Korea.
Russian Acad Sci, Siberian Branch, Inst Biophys, Krasnoyarsk Sci Ctr, Akad Gorodok 50-50, Krasnoyarsk 660036, Russia.

Доп.точки доступа:
Shakirova, A. A.; Tomilin, F. N.; Томилин, Феликс Николаевич; Pomogaev, V. A.; Vnukova, N. G.; Внукова, Наталья Григорьевна; Churilov, G. N.; Чурилов, Григорий Николаевич; Kudryasheva, N. S.; Tchaikovskaya, O. N.; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Avramov, P. V.; RFBRRussian Foundation for Basic Research (RFBR) [18-29-19003 MK]; Russian Ministry of Science and EducationMinistry of Education and Science, Russian Federation [0721-2020-0033]; Collaborative NRF-RFBR grant (Korean) [NRF-2019K2A9A1A06100125]; Collaborative NRF-RFBR grant (Russian) [19-53-51005 NIFa RFFI-Korea]; NRF [2021R1A2C1010455]
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Chemistry of vinylidene complexes. XXV. Synthesis and reactions of binuclear µ-vinylidene RePt complexes containing phosphite ligands. Spectroscopic, structural and electrochemical study / O. S. Chudin, V. V. Verpekin, A. A. Kondrasenko [et al.] // Inorg. Chim. Acta. - 2020. - Vol. 505. - Ст. 119463, DOI 10.1016/j.ica.2020.119463. - Cited References: 56. - This work was conducted within the framework of the budget project AAAA-A17-117021310221-7 for Institute of Chemistry and Chemical Technology SB RAS using the equipment of Krasnoyarsk Regional Research Equipment Centre of SB RAS . - ISSN 0020-1693
Кл.слова (ненормированные):
Vinylidene complexes -- Rhenium -- Platinum -- NMR -- X-ray diffraction -- Redox properties
Аннотация: Reactions of Cp(CO)2ReCCHPh with Pt[P(OR)3]4 (R = Pri, Et, Ph) gave binuclear μ-vinylidene complexes Cp(CO)2RePt(μ-CCHPh)[P(OR)3]2. Treatment of the previously synthesized Cp(CO)2Re(μ-CCHPh)Pt(PPh3)2 with triisopropylphosphite or triethylphosphite resulted in a stepwise substitution of PPh3 ligands, leading to the disubstituted Cp(CO)2RePt(μ-CCHPh)[P(OR)3]2 and monosubstituted Cp(CO)2RePt(μ-CCHPh)[P(OR)3](PPh3) (R = Pri or Et) species, while no triphenylphosphine ligand substitution in the reaction with P(OPh)3 occurs at all. The monosubstituted Cp(CO)2RePt(μ-CCHPh)[P(OR)3](PPh3) (R = Pri, Et, Ph) species were also obtained by reacting Cp(CO)2ReCCHPh with mixed-ligand complexes Pt(PPh3)3L (L = P(OPri)3, P(OEt)3, P(OPh)3). Reactions of Cp(CO)2RePt(μ-CCHPh)LL′ (L = L′ = P(OPri)3, P(OEt)3, P(OPh)3; L = P(OPri)3, P(OEt)3, P(OPh)3, L′ = PPh3) with Co2(CO)9 yield tricarbonyl vinylidene species Cp(CO)2RePt(μ-CCHPh)[P(OR)3](CO) (R = Pri, Et, Ph). The obtained compounds were characterized by IR and 1H, 13C, 31P NMR spectroscopy. The molecular structures of Cp(CO)2RePt(μ-CCHPh)[P(OPri)3]2, Cp(CO)2RePt(μ-CCHPh)[P(OPri)3](PPh3) and Cp(CO)2RePt(μ-CCHPh)[P(OPri)3](CO) were determined by X-ray diffraction study. The redox properties of the new complexes and their reactions of chemical oxidation were studied.

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Institute of Chemistry and Chemical Technology SB RAS, Federal Research Center “Krasnoyarsk Science Center SB RAS”, Akademgorodok, 50-24, Krasnoyarsk, 660036, Russian Federation
Siberian Federal University, Svobodny Prospect, 79, Krasnoyarsk, 660041, Russian Federation
Nikolaev Institute of Inorganic Chemistry, Siberian Branch of the Russian Academy of Sciences, Acad. Lavrentiev Ave., 3, Novosibirsk, 630090, Russian Federation
Novosibirsk State University, 2 Pirogova Str., Novosibirsk, 630090, Russian Federation
Institute of Physics SB RAS, Federal Research Center “Krasnoyarsk Science Center SB RAS”, Akademgorodok, 50-38, Krasnoyarsk, 660036, Russian Federation

Доп.точки доступа:
Chudin, O. S.; Verpekin, V. V.; Kondrasenko, A. A.; Burmakina, G. V.; Piryazev, D. A.; Vasiliev, A. D.; Васильев, Александр Дмитриевич; Pavlenko, N. I.; Zimonin, D. V.; Rubaylo, A. I.
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Catalyzed M–C coupling reactions in the synthesis of σ-(pyridylethynyl)dicarbonylcyclopentadienyliron complexes / V. V. Verpekin, O. V. Semeikin, A. D. Vasiliev [et al.] // RSC Adv. - 2020. - Vol. 10, Is. 29. - P. 17014-17025, DOI 10.1039/d0ra02333g. - Cited References: 86. - This research was funded by a grant from the Russian Science Foundation (project No. 18-73-00150). . - ISSN 2046-2069

РУБ Chemistry, Multidisciplinary
Рубрики:
NONLINEAR-OPTICAL PROPERTIES
METAL ALKYNYL COMPLEXES
CARBON BOND FORMATION
Аннотация: The reactions between terminal ethynylpyridines, (trimethylsilyl)ethynylpyridines and cyclopentadienyliron dicarbonyl iodide were studied under Pd/Cu-catalyzed conditions to develop a synthetic approach to the σ-alkynyl iron complexes Cp(CO)2Fe–C≡C–R (R = ortho-, meta-, para-pyridyl). Depending on the catalyst and reagents used, the yields of the desired σ-pyridylethynyl complexes varied from 40 to 95%. In some cases the reactions with ortho-ethynylpyridine gave as byproduct the unexpected binuclear FePd μ-pyridylvinylidene complex [Cp(CO)Fe{μ2-η1(Cα):η1(Cα)-κ1(N)-Cα=Cβ(H)(o-C5H4N)}(μ-CO)PdI]. The conditions, catalysts, and reagents that provide the highest yields of the desired σ-pyridylethynyl iron compounds were determined. The methods developed allowed the synthesis of the corresponding σ-4-benzothiadiazolylethynyl complex Cp(CO)2Fe–C≡C–(4-C6H3N2S) as well. Eventually, synthetic approaches to σ-alkynyl iron complexes of the type Cp(CO)2Fe–C≡C–R (R = ortho-, meta-, para-pyridyl, 4-benzothiadiazol-2,1,3-yl) based on the Pd/Cu-catalyzed cross-coupling reactions were elaborated.

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Держатели документа:
Russian Acad Sci, Krasnoyarsk Res Ctr, Siberian Branch, Inst Chem & Chem Technol, Akademgorodok 50-24, Krasnoyarsk 660036, Russia.
Russian Acad Sci, AN Nesmeyanov Inst Organoelement Cpds, Ul Vavilova 28, Moscow 119991, Russia.
Russian Acad Sci, Siberian Branch, Krasnoyarsk Res Ctr, Inst Phys, Akademgorodok 50-38, Krasnoyarsk 660036, Russia.
Siberian Fed Univ, Sobodny Prospect 79, Krasnoyarsk 660041, Russia.

Доп.точки доступа:
Verpekin, Victor V.; Semeikin, Oleg, V; Vasiliev, A. D.; Васильев, Александр Дмитриевич; Kondrasenko, Alexander A.; Belousov, Yu. A.; Ustynyuk, Nikolai A.; Russian Science FoundationRussian Science Foundation (RSF) [18-73-00150]
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10.

    Tuning of the coordination and emission properties of 4-amino-2,1,3-benzothiadiazole by introduction of diphenylphosphine group / T. S. Sukhikh, R. M. Khisamov, D. A. Bashirov [et al.] // Cryst. Growth Des. - 2020. - Vol. 20, Is. 9. - P. 5796-5807, DOI 10.1021/acs.cgd.0c00406. - Cited References: 58. - This work is supported by the Russian Science Foundation (project no. 19-73-00030) and partly by RFBR (viz., powder XRD data processing and determination of the structure of 1. CINF7/INFHINF8/INF using powder XRD) according to the research project no. 19-52-80003. We acknowledge the European Synchrotron Radiation Facility for provision of synchrotron radiation facilities and thank Prof. Andrew N. Fitch. We are grateful to Siberian Supercomputer Centre of Institute of Computational Mathematics and Mathematical Geophysics for computational capability and thank the technical staff of the Institute for the assistance . - ISSN 1528-7483. - ISSN 1528-7505
   Перевод заглавия: Настройка координационных и эмиссионных свойств 4-амино-2,1,3-бензотиадиазола путем введения дифенилфосфиновой группы

РУБ Chemistry, Multidisciplinary + Crystallography + Materials Science, Multidisciplinary
Рубрики:
COMPLEXES
   BENZOTHIADIAZOLE
   CHEMISTRY
   SUBSTITUENTS
   LIGANDS
   PROGRAM
Аннотация: A novel amino-benzothiadiazole bearing diphenylphosphine groups (L) was designed and synthesized. A number of its coordination compounds of Cu(I) (1·0.75C7H8, 2a,b), Pd(II) (4), and Pt(II) (5) were prepared demonstrating the coordination of L ligand via N and/or P atoms. The reaction with strong Lewis acid Zn(II) resulted in the rearrangement of P—N—P to P–P–N moiety and formation of complex 3. The structures of L, 2–5 were determined by single crystal X-ray (XRD) diffraction, while that of 1·0.75C7H8 was determined by powder XRD analysis. Intermolecular secondary bonding of S···S interactions in the compounds, unusual for benzothiadiazoles, was discussed supported by quantum chemical calculations. Differences in the structures of the compounds cause significant changes of photophysical properties. In particular, the position of the electronic absorption band is featured by the conformation of L, viz., the dihedral angle between the benzothiadiazole unit and the P—N—P moiety, as proved by TD-DFT calculations performed on model molecules. The photophysical properties of the compounds also strongly depend on the coordination mode of L: the presence of a bond between the metal and the N atom of the thiadiazole unit plays an essential role in defining the position of the absorption and emission bands as well as emission lifetime of these compounds. The thermally activated delayed fluorescence and phosphorescence mechanisms in a thermal equilibrium were determined for 1·0.75C7H8. Complex 5 features a broad emission band spanning the entire visible region; moreover, it shows an unusual clear-white luminescence, which remains visible even in the daylight.

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Держатели документа:
Russian Acad Sci, Nikolaev Inst Inorgan Chem, Siberian Branch, Novosibirsk 630090, Russia.
Russian Acad Sci, Kirensky Inst Phys, Siberian Branch, Krasnoyarsk 660036, Russia.
Novosibirsk State Univ, Natl Res Univ, Dept Nat Sci, Novosibirsk 630090, Russia.
Shihexi Univ, Dept Chem, Shihezi 832000, Xinjiang, Peoples R China.

Доп.точки доступа:
Sukhikh, Taisiya S.; Khisamov, Radmir M.; Bashirov, D. A.; Komarov, Vladislav Yu; Molokeev, M. S.; Молокеев, Максим Сергеевич; Ryadun, Alexey A.; Benassi, E.; Konchenko, Sergey N.; Russian Science FoundationRussian Science Foundation (RSF) [19-73-00030]; RFBRRussian Foundation for Basic Research (RFBR) [19-52-80003]
}
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11.

Metal-organic magnets with large coercivity and ordering temperatures up to 242°C / P. Perlepe, I. Oyarzabal, A. Mailman [et al.] // Science. - 2020. - Vol. 370, Is. 6516. - P. 587-591, DOI 10.1126/science.abb3861. - Cited References: 42. - This work was supported by the University of Bordeaux, the Region Nouvelle Aquitaine, Quantum Matter Bordeaux, and the Centre National de la Recherche Scientifique (CNRS). I.O. and R.C. are grateful to the Basque Government for I.O.'s postdoctoral grant. K.S.P. thanks the VILLUM FONDEN for a Villum Young Investigator grant (15374). A.M. thanks JYU and the Academy of Finland (project 289172) for support . - ISSN 0036-8075. - ISSN 1095-9203

РУБ Multidisciplinary Sciences
Рубрики:
ROOM-TEMPERATURE
   CHROMIUM
   FERROMAGNETISM
   DIFFRACTION
   COMPLEXES
Аннотация: Magnets derived from inorganic materials (e.g., oxides, rare-earth–based, and intermetallic compounds) are key components of modern technological applications. Despite considerable success in a broad range of applications, these inorganic magnets suffer several drawbacks, including energetically expensive fabrication, limited availability of certain constituent elements, high density, and poor scope for chemical tunability. A promising design strategy for next-generation magnets relies on the versatile coordination chemistry of abundant metal ions and inexpensive organic ligands. Following this approach, we report the general, simple, and efficient synthesis of lightweight, molecule-based magnets by postsynthetic reduction of preassembled coordination networks that incorporate chromium metal ions and pyrazine building blocks. The resulting metal-organic ferrimagnets feature critical temperatures up to 242°C and a 7500-oersted room-temperature coercivity.

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Держатели документа:
Univ Bordeaux, CNRS, Ctr Rech Paul Pascal, UMR 5031, F-33600 Pessac, France.
Univ Bordeaux, Bordeaux INP, ICMCB, UMR 5026, F-33600 Pessac, France.
Univ Basque Country, UPV EHU, Chem Fac, Donostia San Sebastian 20018, Spain.
Univ Jyvaskyla, Dept Chem, FI-40014 Jyvaskyla, Finland.
ESRF European Synchrotron, CS, F-38043 Grenoble 9, France.
Swiss Norwegian Beamlines European Synchrotron Ra, F-38000 Grenoble, France.
Univ Bordeaux, CNRS, Lab Ondes & Matiere Aquitaine, F-33400 Talence, France.
Univ Bath, Dept Chem, Bath BA2 7AY, Avon, England.
Univ Bordeaux, Bordeaux INP, ISM, UMR 5255, F-33400 Talence, France.
Tech Univ Denmark, Dept Chem, DK-2800 Lyngby, Denmark.
Kirensky Inst Phys, Fed Res Ctr KSC SB RAS, Krasnoyarsk 660036, Russia.
PSL Univ, Inst Mat Poreux Paris, UMR CNRS 8004, Ecole Normale Super, F-75005 Paris, France.

Доп.точки доступа:
Perlepe, Panagiota; Oyarzabal, Itziar; Mailman, Aaron; Yquel, Morgane; Platunov, M. S.; Платунов, Михаил Сергеевич; Dovgaliuk, Iurii; Rouzieres, Mathieu; Negrier, Philippe; Mondieig, Denise; Suturina, Elizaveta A.; Dourges, Marie-Anne; Bonhommeau, Sebastien; Musgrave, Rebecca A.; Pedersen, Kasper S.; Chernyshov, Dmitry; Wilhelm, Fabrice; Rogalev, Andrei; Mathoniere, Corine; Clerac, Rodolphe; University of Bordeaux; Region Nouvelle AquitaineRegion Nouvelle-Aquitaine; Quantum Matter Bordeaux; Centre National de la Recherche Scientifique (CNRS)Centre National de la Recherche Scientifique (CNRS); Basque GovernmentBasque Government; VILLUM FONDEN [15374]; Academy of FinlandAcademy of Finland [289172]
}
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12.

Molecular epitope determination of aptamer complexes of the multidomain protein C-met by proteolytic affinity-mass spectrometry / L. Lupu, P. Wiegand, N. Huttmann [et al.] // ChemMedChem. - 2020. - Vol. 15, Is. 4. - P. 363-369, DOI 10.1002/cmdc.201900489. - Cited References: 40. - We gratefully acknowledge the advice and assistance of Prof. Friedemann Volklein and Oliver Muller, MSc in the preparation of chips for the SPR affinity determinations. We thank Dr. Stefan Maeser, Biogen GmbH, Munchen, for valuable advice and critical reading of the manuscript. This work has been partially funded (Chip-MS epitope analysis) by the LOEWE-3 Funding Agency, Hessen-Agentur, Wiesbaden, Germany; Grant 696/19-16 . - ISSN 1860-7179. - ISSN 1860-7187

РУБ Chemistry, Medicinal + Pharmacology & Pharmacy
Рубрики:
DNA APTAMERS
ANTIBODIES
RECOGNITION
Кл.слова (ненормированные):
C-Met protein -- tumor biomarkers -- aptamer-C-Met complexes -- aptamer epitopes -- affinity-mass spectrometry -- epitope peptide analysis
Аннотация: C‐Met protein is a glycosylated receptor tyrosine kinase of the hepatocyte growth factor (HGF), composed of an α and a β chain. Upon ligand binding, C‐Met transmits intracellular signals by a unique multi‐substrate docking site. C‐Met can be aberrantly activated leading to tumorigenesis and other diseases, and has been recognized as a biomarker in cancer diagnosis. C‐Met aptamers have been recently considered a useful tool for detection of cancer biomarkers. Herein we report a molecular interaction study of human C‐Met expressed in kidney cells with two DNA aptamers of 60 and 64 bases (CLN0003 and CLN0004), obtained using the SELEX (Systematic Evolution of Ligands by Exponential Enrichment) procedure. Epitope peptides of aptamer‐C‐Met complexes were identified by proteolytic affinity‐mass spectrometry in combination with SPR biosensor analysis (PROTEX‐SPR‐MS), using high‐pressure proteolysis for efficient digestion. High affinities (KD, 80–510 nM) were determined for aptamer‐C‐Met complexes, with two‐step binding suggested by kinetic analysis. A linear epitope, C‐Met (381–393) was identified for CLN0004, while the CLN0003 aptamer revealed an assembled epitope comprised of two peptide sequences, C‐Met (524–543) and C‐Met (557–568). Structure modeling of C‐Met‐aptamers were consistent with the identified epitopes. Specificities and affinities were ascertained by SPR analysis of the synthetic epitope peptides. The high affinities of aptamers to C‐Met, and the specific epitopes revealed render them of high interest for cellular diagnostic studies.

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Steinbeis Ctr Biopolymer Anal & Biomed Mass Spect, Marktstr 29, D-65428 Russelsheim, Germany.
Univ Ottawa, Dept Chem & Biomol Sci, Ottawa, ON K1N 6N5, Canada.
Rhein Main Univ, Dept Engn Sci, D-65428 Russelsheim, Germany.
Russian Acad Sci, Siberian Branch, Kirensky Inst Phys, Krasnoyarsk 660036, Russia.
Siberian Fed Univ, Krasnoyarsk 66041, Russia.
Russian Acad Sci, Fed Res Ctr, Lab Digital Controlled Drugs & Theranost, Siberian Branch,Krasnoyarsk Sci Ctr, Krasnoyarsk 660036, Russia.
Pressure Biosci Inc, 14 Norfolk Ave, South Easton, MA 02375 USA.

Доп.точки доступа:
Lupu, Loredana; Wiegand, Pascal; Huttmann, N.; Rawer, Stephan; Kleinekofort, Wolfgang; Shugureva, Irina; Kichkailo, Anna S.; Tomilin, F. N.; Томилин, Феликс Николаевич; Lazarev, Alexander; Berezovski, Maxim V.; Przybylski, Michael; LOEWE-3 Funding Agency, Hessen-Agentur, Wiesbaden, Germany [696/19-16]
}
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13.

    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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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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14.

    Реакции фенилацетиленидных комплексов золота (i) и фенилвинилиденов марганца и рения / В. В. Верпекин [и др.] // Полифункциональные химические материалы и технологии : матер. междунар. науч. конф. : в 2-х т. - 2019. - Т. 1. - С. 172-173. - Исследование выполнено при финансовой поддержке Российского фонда фундаментальных исследований, Правительства Красноярского края, Красноярского краевого фонда науки в рамках научного проекта «Новые соединения на основе золота и благородных металлов: синтез, физико-химические свойства, каталитическая способность» (грант №18-43-240010) . - ISBN 978-5-6042143-9-8
   Перевод заглавия: Reactions of gold (i) phenylacetylide complexes with manganese and rhenium phenylvinyidene complexes
Аннотация: A reactivity of gold phenylacetylides (L)Au-C=C-Ph (L = SMe2, C4H8S, C5H5N) towards the vinylidene complexes of rhenium and manganese containing a metallaallene system M=C=C are studied for the first time.

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

Доп.точки доступа:
Верпекин, Виктор Васильевич; Васильев, Александр Дмитриевич; Vasiliev, A. D.; Павленко, Нина Ивановна; Зимонин, Дмитрий Валерьевич; Бурмакина, Галина Вениаминовна; Полифункциональные химические материалы и технологии(2019 ; май. ; 22-25 ; Томск); Томский государственный университет
}
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15.

The comparative analysis of the solid-state 31P NMR spectra of Re-Pt vinylidene complexes / K. T. Smolyarov [et al.] // J. Phys. Conf. Ser. - 2019. - Vol. 1399. - Ст. 022028, DOI 10.1088/1742-6596/1399/2/022028. - Cited References: 11 . - ISSN 1742-6588. - ISSN 1742-6596
Рубрики:
Applied Physics
Аннотация: The two vinylidene complexes Cp(CO)2 RePt(μ-C=CHPh)(PPh3 )(CO) and Cp(CO)2 RePt(μ-C=CHPh)(PPh3 )2 and their precursors PPh3 and P(PPh3 )4 were studied by solid-state nuclear magnetic resonance. We analysed 31P cross-polarization spectra acquired in static conditions and with magic angle spinning. The chemical shift tensors of each sample were determined by fitting their spectra using SIMPSON simulations.

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Держатели документа:
Federal Research Center "Krasnoyarsk Science Center of the Siberian Branch of the Russian Academy of Sciences" (KSC SB RAS), Krasnoyarsk, Russia
Kirensky Institute of Physics SB RAS, Krasnoyarsk, Russia
Institute of Chemistry and Chemical Technology SB RAS, Krasnoyarsk, Russia
Siberian Federal University, Krasnoyarsk, Russia

Доп.точки доступа:
Smolyarov, K. T.; Volkov, N. V.; Matsulev, A. N.; Kondrasenko, A. A.; Кондрасенко, Александр Александрович; International Scientific Conference "Conference on Applied Physics, Information Technologies and Engineering"(25-27 September 2019 ; Krasnoyarsk, Russian Federation)
}
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16.

Using Redox-Active pi Bridging Ligand as a Control Switch of Intramolecular Magnetic Interactions / X. Z. Ma [et al.] // J. Am. Chem. Soc. - 2019. - Vol. 141, Is. 19. - P. 7721-7725, DOI 10.1021/jacs.9b03044. - Cited References: 38. - This work was supported by the ANR (ANR-16-CE29-0001-01, Active-Magnet project), the University of Bordeaux, the Region Nouvelle Aquitaine, the CNRS, the MOLSPIN COST action CA15128 and the Chinese Scholarship Council (CSC) for the PhD funding of X.M. E.A.S. thanks EPSRC for support (EP/N006895/1), the IRIDIS High Performance Computing Facility and associated services at the University of Southampton and RSC for travel grant. The authors thank also S. De, D. Woodruff, P. Perlepe, I. Oyarzabal, and S. Exiga for their assistance and fruitful discussions as well as the GdR MCM-2. . - ISSN 0002-7863

РУБ Chemistry, Multidisciplinary
Рубрики:
GROUND-STATE
COMPLEXES
Аннотация: Intramolecular magnetic interactions in the dinuclear complexes [(tpy)Ni(tphz)Ni(tpy)]n+ (n = 4, 3, and 2; tpy, terpyridine; tphz, tetrapyridophenazine) were tailored by changing the oxidation state of the pyrazine-based bridging ligand. While its neutral form mediates a weak antiferromagnetic (AF) coupling between the two S = 1 Ni(II), its reduced form, tphz•–, promotes a remarkably large ferromagnetic exchange of +214(5) K with Ni(II) spins. Reducing twice the bridging ligand affords weak Ni–Ni interactions, in marked contrast to the Co(II) analogue. Those experimental results, supported by a careful examination of the involved orbitals, provide a clear understanding of the factors which govern strength and sign of the magnetic exchange through an aromatic bridging ligand, a prerequisite for the rational design of strongly coupled molecular systems and high TC molecule-based magnets.

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CNRS, CRPP, UMR 5031, F-33600 Pessac, France.
Univ Bordeaux, CRPP, UMR 5031, F-33600 Pessac, France.
Univ Bath, CSCT, Claverton Down, Bath BA2 7AY, Avon, England.
ESRF, CS 40220, F-38043 Grenoble 9, France.

Доп.точки доступа:
Ma, Xiaozhou; Suturina, Elizaveta A.; Rouzieres, Mathieu; Platunov, M. S.; Платунов, Михаил Сергеевич; Wilhelm, Fabrice; Rogalev, Andrei; Clerac, Rodolphe; Dechambenoit, Pierre; ANRFrench National Research Agency (ANR) [ANR-16-CE29-0001-01]; University of Bordeaux; Region Nouvelle Aquitaine; CNRSCentre National de la Recherche Scientifique (CNRS); MOLSPIN COST actionEuropean Cooperation in Science and Technology (COST) [CA15128]; Chinese Scholarship Council (CSC)China Scholarship Council; EPSRCEngineering & Physical Sciences Research Council (EPSRC) [EP/N006895/1]; IRIDIS High Performance Computing Facility; University of Southampton; RSC
}
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17.

    Синтез алкинильных комплексов циклопентадиенилдикарконил железа в условиях реакций pd/cu-катализируемого m-c сочетания / В. В. Верпекин [и др.] // Полифункциональные химические материалы и технологии : матер. междунар. науч. конф. : в 2-х т. - 2019. - Т. 1. - С. 174-175. - Исследование выполнено за счет гранта Российского научного фонда (проект № 18-73-00150) . - ISBN 978-5-6042143-9-8
   Перевод заглавия: Synthesis of iron cyclopentadienyldicarbonyl alkynyl complexes in conditions of pd/cu-catalyzed m-c cross-coupling reactions
Аннотация: Reactions between cyclopentadienyliron dicarbonyl iodide and terminal alkynes containing such substituents as ortho-, meta-, para-pyrydyl, 2-thiophenyl, 2,1,3-benzothiadiazole in condition of Pd/Cu-catalyzed cross-coupling are studied. New synthetic methods for о-alkynyl iron complexes are developed.

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

Доп.точки доступа:
Верпекин, Виктор Васильевич; Васильев, Александр Дмитриевич; Vasiliev, A. D.; Павленко, Нина Ивановна; Семейкин, О. В.; Крейндлин, А. З.; Полифункциональные химические материалы и технологии(2019 ; май. ; 22-25 ; Томск); Томский государственный университет
}
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18.

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.

Доп.точки доступа:
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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19.

Chemistry of vinylidene complexes. XXIV. A new μ-vinylidene complex containing RePt core, and platinum-bound carbonyl ligand. Spectroscopic, structural and electrochemical study / V. V. Verpekin [et al.] // J. Mol. Struct. - 2018. - Vol. 1163. - P. 308-315, DOI 10.1016/j.molstruc.2018.03.020. - Cited References: 45. - The reported study was funded by the State budget allocated to the fundamental research in the Russian Academy of Sciences in the framework of Project No. V.44.1.7 and was financially supported by Krasnoyarsk Region Science and Technology Support Fund (the junior scientists project no. 3/15). . - ISSN 0022-2860. - ISSN 1872-8014

РУБ Chemistry, Physical
Рубрики:
TRI-METAL COMPLEXES
   RAY CRYSTAL-STRUCTURE
   BRIDGING CARBENE
   CARBYNE
Кл.слова (ненормированные):
Rhenium -- Platinum -- Vinylidene complexes -- Heterometallic complexes -- Electrochemistry
Аннотация: The novel heterobinuclear μ-vinylidene complex [Cp(CO)2Re(μ-C=CHPh)Pt(PPh3)(CO)] (1) was isolated from the reaction mixture of [Cp(CO)2Re(μ-C=CHPh)Fe(CO)4] and Pt(PPh3)4 for the first time. Alternative high-yield synthetic approaches to 1 were developed including the reactions of [Cp(CO)2Re(μ-C=CHPh)Pt(PPh3)2] (2) with Co2(CO)8 and Rh(acac)(CO)2. The complex was characterized by IR and ¹H, ¹³C and ³¹P NMR spectroscopy, a molecular structure of 1 was determined by X-ray diffraction analysis. The electrochemical behavior of the new complex was studied by cyclic voltammetry at platinum or glassed carbon electrodes and by dc polarography at a dropping mercury electrode.

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Держатели документа:
RAS, SB, Inst Chem & Chem Technol, Krasnoyarsk Sci Ctr,Fed Res Ctr, Akademgorodok 50-24, Krasnoyarsk 660036, Russia.
RAS, SB, Fed Res Ctr, Inst Phys,Krasnoyarsk Sci Ctr, Krasnoyarsk 660036, Russia.
RAS, Fed Res Ctr, SB, Krasnoyarsk Sci Ctr, Akademgorodok 50, Krasnoyarsk 660036, Russia.
Siberian Fed Univ, Svobodny Prospect 79, Krasnoyarsk 660041, Russia.

Доп.точки доступа:
Verpekin, V. V.; Vasiliev, A. D.; Васильев, Александр Дмитриевич; Kondrasenko, A. A.; Burmakina, G. V.; Chudin, O. S.; Pavlenko, N. I; Zimonin, Dmitry V.; Rubaylo, Anatoly I.; Russian Academy of Sciences [V.44.1.7]; Krasnoyarsk Region Science and Technology Support Fund [3/15]
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20.

    Two novel mixed-ligand Ni(II) and Co(II) complexes with 1,10-phenanthroline: Synthesis, structural characterization, and thermal stability / N. N. Golovnev [et al.] // Chem. Phys. Lett. - 2018. - Vol. 708. - P. 11-16, DOI 10.1016/j.cplett.2018.07.058. - Cited References: 29. - 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. X-ray data from single crystals were obtained with use 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 0009-2614
   Перевод заглавия: Два новых комплекса смешанных лигандов Ni (II) и Co (II) с 1,10-фенантролином: синтез, структурная характеризация и термическая стабильность
Кл.слова (ненормированные):
Barbituric acid -- 1,10-Phenanthroline complexes -- X-ray diffraction -- Thermal decomposition -- Infrared spectroscopy
Аннотация: Two nickel(II) and cobalt(II) complexes with phenanthroline, [Ni(Phen)(H2O)3Br]Br (1) and [Co(Phen)2(H2O)2](Hba)2·2H2O (2), Phen = 1,10-phenanthroline and Hba− = barbiturate anion, were synthesized and characterized by powder XRD, TGA and FT-IR. Their structures were determined by single crystal X-ray diffraction techniques. The Ni2+ ion is coordinated by two N atoms of Phen molecule, Br− ion and three H2O molecules forming an octahedron. Uncoordinated and coordinated Br− ions are connected with water molecules by OH⋯Br intermolecular hydrogen bonds with the formation of a 2D plane network which is extended into a 3D network by π−π stacking interactions. The [Co(Phen)2(H2O)2]2+ cation contains a six-coordinated cobalt atom chelated by two Phen ligands and two aqua ligands in the cis arrangement. NH⋯O, OH⋯O and CH⋯O intermolecular hydrogen bonds form a 3D net. NH⋯O hydrogen bonds form the infinite chains of Hba–. In addition, coordinated Phen molecules and lattice water molecules are linked via CH⋯OW hydrogen bonds to form infinite zigzag chains. These different chains are connected by OWH⋯O hydrogen bonds. π−π interaction plays an important role in the stabilization of structures 1–2. FT-IR, TGA, the diffuse reflectance, and UV–Vis spectra were also used to characterize these compounds.

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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.
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