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1.
2-Thiobarbiturate
complexes
of
Ca(II): synthesis, crystal structure and thermal properties / N. N. Golovnev [et al.]> // 3 Int. Conf. on the Advancement of Mater. and Nanotechn. (ICAMN 2013) : Programme and abstracts book. - 2013. - P. 157
Перевод заглавия:
2-тиобарбитуровые комплексы Ca(II): синтез, кристаллическая структура и термические свойства
Кл.слова (ненормированные):
calcium
--
2-thiobarbituric acid
--
crystal structure
--
thermal decomposition
--
IR spectroscopy
Доп.точки доступа:
Golovnev, N. N.; Головнёв, Николай Николаевич; Molokeev, M. S.; Молокеев, Максим Сергеевич; Vereschagin, S. N.; Верещагин, С. Н.; Atuchin, V. V.; Атучин, Виктор Валерьевич; International Conference on the Advancement of Materials and Nanotechnology (3 ; 2013 ; Nov. ; 19-22 ; Penang, Malaysia)
}
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2.
A complex of
ceftriaxone with Pb(II): synthesis, characterization, and antibacterial activity study / A. O. Lykhin [et al.]> // J. Coord. Chem. - 2014. -
Vol. 67
,
Is. 16
. - З. 2783-2794,
DOI
10.1080/00958972.2014.938065. - Cited References: 48. - The reported study was supported by RFBR, research project No. 14-03-31, 170 MOJI_a and Krasnoyarsk regional fund for supporting scientific and technological activities. We thank the Center for Equipment Joint Use of the Siberian Federal University. We are grateful to the HPC Research Departments of Siberian Federal University and Moscow University Supercomputing Center (SKIF MSU "Chebyshev") for the access to the high-performance computer clusters. . - ISSN 0095-8972. - ISSN 1029-0389
РУБ
Chemistry, Inorganic & Nuclear
Рубрики:
BETA-LACTAM ANTIBIOTICS
TERNARY COMPLEX
METAL-
COMPLEXES
BASIS-SETS
3 DECADES
RESISTANCE
COPPER(II)
CEPHALOSPORINS
EVOLUTION
1ST-ROW
Кл.слова (ненормированные):
Ceftriaxone lead(II) complex
--
DFT
--
IR spectroscopy
--
TGA
--
Antibacterial screening
Аннотация:
A Pb(II) complex with ceftriaxone (H2Ceftria) antibiotic was synthesized by reaction of ceftriaxone disodium salt (hemi)heptahydrate with lead nitrate in water–ethanol medium. The complex was characterized on the basis of complexometric titration, spectrophotometric and thermogravimetric analyses, capillary electrophoresis, IR, Raman and UV–vis spectroscopies, and density functional theory calculations. Pb(II) is five-coordinate with distorted square pyramidal geometry. The coordination of Ceftria2− to Pb(II) occurs through N and O of the triazine, lactam carbonyl, carboxylate, and amine groups. The antibacterial activity study showed that Klebsiella pneumoniae is resistant to [Pb(Ceftria)]·3H2O. The antibacterial activity of [Pb(Ceftria)]·3H2O against Staphylococcus aureus is reduced compared with ceftriaxone. In contrast, the antibacterial activity of [Pb(Ceftria)]·3H2O against Escherichia coli is 28% higher than that of ceftriaxone antibiotic.
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Держатели документа:
Siberian Fed Univ, Dept Chem, Krasnoyarsk, Russia
Siberian State Aerosp Univ, Informat Sci & Telecommun Inst, Krasnoyarsk, Russia
Russian Acad Sci, LV Kirensky Inst Phys, Siberian Branch, Krasnoyarsk, Russia
Siberian State Technol Univ, Dept Phys, Krasnoyarsk, Russia
Univ Nevada, Dept Chem, Reno, NV 89557 USA
Доп.точки доступа:
Lykhin, A. O.; Лыхин А. О.; Novikova, G. V.; Новикова Г. В.; Kuzubov, A. A.; Кузубов, Александр Александрович; Staloverova, N. A.; Сталоверова Н. А.; Sarmatova, N. I.; Сарматова Н. И.; Varganov, S. A.; Варганов, Сергей Александрович; Krasnov, P. O.; Краснов, Павел Олегович; RFBR [14-03-31, 170 MOJI_a]
}
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3.
A study of
the synthesis products of fullerenes with nickel and cobalt / E. A. Petrakovskaya [et al.]> // Tech. Phys. - 2001. -
Vol. 46
,
Is. 1
. - P. 42-46,
DOI
10.1134/1.1340883. - Cited References: 15 . - ISSN 1063-7842
РУБ
Physics, Applied
Рубрики:
COMPLEXES
SPECTRA
Аннотация:
Qualitative analysis of the products of plasmochemical synthesis of fullerenes with metallic nickel and cobalt has been carried out using electron paramagnetic resonance (EPR) and electron microscopy. These studies show that the synthesis products are mainly fullerenes, metallic nanoparticles coated with an insulating layer, and isolated atomic clusters. (C) 2001 MAIK "Nauka/Interperiodica".
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Держатели документа:
Russian Acad Sci, LV Kirensky Phys Inst, Siberian Branch, Krasnoyarsk 660036, Russia
ИФ СО РАН
Kirenskii Inst. of Physics, Siberian Branch, RAS, Krasnoyarsk, 660036, Russian Federation
Доп.точки доступа:
Petrakovskaya, E. A.; Петраковская, Элеонора Анатольевна; Bulina, N. V.; Булина, Наталья Васильевна; Churilov, G. N.; Чурилов, Григорий Николаевич; Puzyr', A. P.
}
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4.
Varganov, S. A.
Ab initio calculations of endo- and exohedral C-60 fullerene
complexes
with Li+ ion and the endohedral C-60 fullerene complex with Li-2 dimer / S. A. Varganov, P. V. Avramov, S. G. Ovchinnikov> // Phys. Solid State. - 2000. -
Vol. 42
,
Is. 2
. - P. 388-392,
DOI
10.1134/1.1131218. - Cited References: 16 . - ISSN 1063-7834
РУБ
Physics, Condensed Matter
Рубрики:
ELECTRONIC-STRUCTURE
ENERGIES
C60
Аннотация:
The results of ab initio Hartree-Fock calculations of endo- and exohedral C-60 fullerene
complexes
with the Li+ ion and Li-2 dimer are presented. The coordination of the Li+ ion and the Li-2 dimer in the endohedral
complexes
and the coordination of Li+ ion in the exohedral complex of C-60 fullerene are determined by the geometry optimization using the 3-21G basis set. In the endohedral Li+C60 complex, the Li+ ion is displaced from the center of the C-60 cage to the centers of carbon hexa- and pentagons by 0.12 nm. In the Li-2 dimer encapsulated inside the C-60 cage, the distance between the lithium atoms is 0.02 nm longer than that in the free molecule. The calculated total and partial one-electron densities of states of C-60 fullerene are in good agreement with the experimental photoelectron and X-ray emission spectra. Analysis of one-electron density of states of the endohedral Li+@C-60 complex indicates an ionic bonding between the Li atoms and the C-60 fullerene. In the Li+C60 and Li+@C-60
complexes
, there is a strong electrostatic interaction between the Li+ ion and the fullerene. (C) 2000 MAIK "Nauka/Interperiodica".
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Держатели документа:
Russian Acad Sci, Kirenskii Inst Phys, Siberian Div, Krasnoyarsk 660036, Russia
Siberian Aerosp Acad, Krasnoyarsk 660014, Russia
ИФ СО РАН
Доп.точки доступа:
Avramov, P. V.; Аврамов, Павел Вениаминович; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич
}
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5.
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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Держатели документа:
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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6.
Atomic Structure and
Energetic Stability of Complex Chiral Silicon Nanowires / P. V. Avramov [et al.]> // J. Phys. Chem. C. - 2010. -
Vol. 114
,
Is. 35
. - P. 14692-14696,
DOI
10.1021/jp1016399. - Cited Reference Count: 36. - Гранты: This work was supported by a CREST (Core Research for Evolutional Science and Technology) grant in the Area of High Performance Computing for Multiscale and Multiphysics Phenomena from the Japan Science and Technology Agency (JST) and a collaborative RFBR-JSPS grant No. 09-02-92107-Phi. S.I. also acknowledges support by the Program for Improvement of Research Environment for Young Researchers from Special Coordination Funds for Promoting Science and Technology (SCF) commissioned by the Ministry of Education, Culture, Sports, Science, and Technology (MEXT) of Japan. L.Ch. acknowledges support by the Presidium of Russian Academy of Sciences (Program No. 27). - Финансирующая организация: CREST (Core Research for Evolutional Science and Technology); Japan Science and Technology Agency (JST); RFBR-JSPS [09-02-92107]; Special Coordination Funds for Promoting Science and Technology (SCF); Presidium of Russian Academy of Sciences [27] . - SEP 9. - ISSN 1932-7447
Рубрики:
DENSITY-FUNCTIONAL METHODS
GROWTH
EXCHANGE
NANOHELICES
NANOSPRINGS
Кл.слова (ненормированные):
Ab initio
--
Atomic structure
--
Chiral
complexes
--
Consecutive shifts
--
DFT method
--
Energetic stability
--
HOMO-LUMO gaps
--
Metastable structures
--
Potential barriers
--
Si atoms
--
Silicon Nanowires
--
Unit cell parameters
--
Atoms
--
Chirality
--
Electronic structure
--
Enantiomers
--
Metastable phases
--
Nanowires
--
Stereochemistry
--
Wire
--
Crystal atomic structure
Аннотация:
Atomic and electronic structure and energetic stability of newly proposed pentagonal and hexagonal chiral complex silicon nanowires (NWs) composed of five or six (I 10) oriented crystalline fragments were studied using the ab initio DFT method. The chirality of the wires was caused by consecutive shifts of each fragment by 1/5 or 1/6 of the wire unit cell parameter and rotations of 4 degrees and 3.3 degrees for achiral pentagonal or hexagonal wires, respectively. Chirality causes the HOMO-LUMO gap to reduce by 0.1 eV. Chiral silicon nanowires are found to be metastable structures with a 4,5 (kcal/mol)/Si atom potential barrier for reversible chiral achiral transformation.
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eLibrary
Держатели документа:
Siberian Fed Univ, Krasnoyarsk 660041, Russia
Russian Acad Sci, SB, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia
Kyoto Univ, Fukui Inst Fundamental Chem, Sakyo Ku, Kyoto 6068103, Japan
Nagoya Univ, Inst Adv Res, Nagoya, Aichi 4648602, Japan
Nagoya Univ, Dept Chem, Nagoya, Aichi 4648602, Japan
Russian Acad Sci, Emanuel Inst Biochem Phys, Moscow 119334, Russia
Доп.точки доступа:
Avramov, P. V.; Аврамов, Павел Вениаминович; Minami, S.; Morokuma, K.; Irle, S.; Chernozatonskii, L.A.
}
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7.
Avramov, P. V.
Atomic-core dynamics and the electronic structure of some endo- and exohedral
complexes
of fullerenes with light elements / P. V. Avramov, S. A. Varganov, S. G. Ovchinnikov> // Phys. Solid State. - 2000. -
Vol. 42
,
Is. 11
. - P. 2168-2175,
DOI
10.1134/1.1324059. - Cited References: 39 . - ISSN 1063-7834
РУБ
Physics, Condensed Matter
Рубрики:
M-AT-C-60 ENDOHEDRAL
COMPLEXES
MOLECULAR-DYNAMICS
PHASE-TRANSITION
AB-INITIO
SOLID C60
C-60
IONS
Аннотация:
The atomic and electronic structure of some endo-, exo-, and endo-exohedral
complexes
of the fullerene C-60 with various guest atoms and molecules (He-n, H-2, and Li-2) are investigated using semiempirical and nonempirical quantum-chemical methods. The atomic core dynamics is studied by the method of molecular dynamics. It is shown that guest atoms and molecules in fullerene polyhedra acquire an orbital angular momentum due to the correlated motion of nuclei above the low-energy barriers of the potential surface within the carbon polyhedron even at low temperatures (from 4 to 78 K). The emergence of orbital angular momenta of nuclei of guest atoms and molecules is attributed to a change in the contribution of the orbital angular momentum of electrons to the potential surface of the
complexes
. The motion of Li ions in a polyhedron leads to blurring of the top of the valence band and to the emergence of a charge polarization wave in the carbon polyhedron. (C) 2000 MAIK "Nauka/Interperiodica".
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Держатели документа:
Russian Acad Sci, Kirenskii Inst Phys, Siberian Div, Krasnoyarsk 660036, Russia
Krasnoyarsk State Univ, Krasnoyarsk, Russia
Krasnoyarsk State Univ, Krasnoyarsk 660062, Russia
ИФ СО РАН
Доп.точки доступа:
Varganov, S. A.; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Аврамов, Павел Вениаминович
}
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8.
Golovnev, N. N.
Bridging behaviour of the 2-thiobarbiturate anion in its
complexes
with Li-I and Na-I / N. Golovnev, M. S. Molokeev> // Acta Crystallogr. C. - 2013. -
Vol. 69
,
Pt. 7
. - P. 704-708,
DOI
10.1107/S0108270113014078. - Cited References: 26 . - ISSN 0108-2701
Перевод заглавия:
Мостиковое поведение аниона 2-тиобарбитурата в комплексах с Li(I) и Na(I)
РУБ
Crystallography
Рубрики:
THIOBARBITURIC ACID
NETWORKS
Аннотация:
The structures of the Li-I and Na-I salts of 2-thiobarbituric acid (2-sulfanylidene-1-3-diazinane-4,6-dione, H(2)TBA) have been studied. mu-Aqua-octaaquabis(mu-2-thiobarbiturato-kappa O-2:O')bis(2-thiobarbiturato-kappa O)tetralithium(I) dihydrate, [Li-4(C4H3N2O2S)(4)(H2O)(9)]center dot 2H(2)O, (I), crystallizes with four symmetry-independent four-coordinated Li-I cations and four independent HTBA(-) anions. The structure contains two structurally non-equivalent Li-I cations and two non-equivalent HTBA(-) anions (bridging and terminal). Eight of the coordinated water ligands are terminal and the ninth acts as a bridge between Li-I cations. Discrete [Li-4(HTBA)(4)(H2O)(9)]center dot 2H(2)O
complexes
form two-dimensional layers. Neighbouring layers are connected via hydrogen-bonding interactions, resulting in a three-dimensional network. Poly[mu(2)-aqua-tetraaqua(mu(4)-2-thiobarbiturato-kappa O-4:O:S:S)(mu(2)-thiobarbiturato-kappa O-2:S)disodium(I)], [Na-2(C4H3N2O2S)(2)(H2O)(5)](n), (II), crystallizes with six-coordinated Na-I cations. The octahedra are pairwise connected through edge-sharing by a water O atom and an O atom from the mu(4)-HTBA(-) ligand, and these pairs are further top-shared by the S atoms to form continuous chains along the a direction. Two independent HTBA(-) ligands integrate the chains to give a three-dimensional network.
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Держатели документа:
Siberian State Univ, Krasnoyarsk 660041, Russia
Russian Acad Sci, Siberian Branch, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia
Доп.точки доступа:
Molokeev, M. S.; Молокеев, Максим Сергеевич; Головнёв, Николай Николаевич
}
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9.
Golovnev, N.
Bridging behaviour of the 2-thiobarbiturate anion in its
complexes
with LiI and NaI / N. Golovnev, M. Molokeev> // Acta Crystallographica Section C Crystal Structure Communications. - 2013. -
Vol. 69
,
Pt. 7
. - P. 704-708,
DOI
10.1107/S0108270113014078 . - ISSN 0108-2701
Кл.слова (ненормированные):
2-thiobarbituric acid
--
Coordinated water
--
Dihydrates
--
Edge sharing
--
Hydrogen bonding interactions
--
Three-dimensional networks
--
Atoms
--
Complex networks
--
Hydrogen bonds
--
Ligands
--
Negative ions
--
Positive ions
--
Three dimensional
--
Lithium
Аннотация:
The structures of the LiI and NaI salts of 2-thiobarbituric acid (2-sulfanylidene-1-3-diazinane-4,6-dione, H 2TBA) have been studied. μ-Aqua-octaaquabis(μ-2- thiobarbiturato-κ2 O:O′)bis(2-thiobarbiturato-κO) tetralithium(I) dihydrate, [Li4(C4H3N 2O2S)4(H2O)9]·2H 2O, (I), crystallizes with four symmetry-independent four-coordinated LiI cations and four independent HTBA- anions. The structure contains two structurally non-equivalent LiI cations and two non-equivalent HTBA- anions (bridging and terminal). Eight of the coordinated water ligands are terminal and the ninth acts as a bridge between LiI cations. Discrete [Li4(HTBA)4(H2O)9] ·2H2O
complexes
form two-dimensional layers. Neighbouring layers are connected via hydrogen-bonding interactions, resulting in a three-dimensional network. Poly[μ2-aqua-tetraaqua(μ4-2- thiobarbiturato-κ4 O:O:S:S)(μ2-thiobarbiturato- κ2 O:S)disodium(I)], [Na2(C4H 3N2O2S)2(H2O) 5] n , (II), crystallizes with six-coordinated NaI cations. The octahedra are pairwise connected through edge-sharing by a water O atom and an O atom from the μ4-HTBA- ligand, and these pairs are further top-shared by the S atoms to form continuous chains along the a direction. Two independent HTBA- ligands integrate the chains to give a three-dimensional network. © 2013 International Union of Crystallography.
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Держатели документа:
Siberian State Univ, Krasnoyarsk 660041, Russia
Russian Acad Sci, Siberian Branch, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia
Доп.точки доступа:
Molokeev, M. S.; Молокеев, Максим Сергеевич
}
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10.
Calculation of the
energy of binding of titanium and scandium
complexes
to the surface of carbon nanotubes / A. A. Kuzubov [et al.]> // Russ. J. Phys. Chem. B. - 2009. -
Vol. 3
,
Is. 4
. - P. 679-683,
DOI
10.1134/S1990793109040289. - Cited References: 27. - This work was supported by the analytical departmental program "Development of Higher Education Potential (2009-2100)" (grant 2.1.1/2584) and by the Russian Foundation for Basic Research, project no. 09-02-00324-a. . - ISSN 1990-7931
РУБ
Physics, Atomic, Molecular & Chemical
Рубрики:
MOLECULAR-HYDROGEN
COMPLEXES
STORAGE
TEMPERATURE
TRANSITION
DYNAMICS
METALS
Аннотация:
Complexes
of zigzag-type carbon nanotubes (CNTs) with transition metal atoms, scandium and titanium, were studied. It was demonstrated that the energy of binding of both atoms with a carbon surface decreases whereas the rate of diffusion along the surface increases with increasing nanotube diameter. The rate constant of migration of scandium atoms over a CNT surface are several orders of magnitude higher than that for titanium atoms, because the CNT surface-Sc atom binding energy is substantially lower.
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Держатели документа:
Institute of Natural and Humanitarian Sciences, Siberian Federal University, Krasnoyarsk 660041, Russian Federation
Kirenskii Institute of Physics, Siberian Division, Russian Academy of Sciences, Akademgorodok, Krasnoyarsk 660036, Russian Federation
Siberian State Technological University, Krasnoyarsk 660049, Russian Federation
Доп.точки доступа:
Kuzubov, A. A.; Кузубов, Александр Александрович; Krasnov, P. O.; Краснов, Павел Олегович; Kozhevnikov, T. A.; Popov, M. A.; Analytical departmental program "Development of Higher Education Potential" [2.1.1/2584]; Russian Foundation for Basic Research [09-02-00324-a]
}
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11.
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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12.
Kim, J.
Charge transfer and Mott-Hubbard excitations in FeBO3: An Fe K-edge resonant inelastic x-ray scattering study / J. . Kim, Y. . Shvyd'ko, S. G. Ovchinnikov> // Phys. Rev. B. - 2011. -
Vol. 83
,
Is. 23
. - Ст. 235109,
DOI
10.1103/PhysRevB.83.235109. - Cited References: 67. - Yu.Sh. acknowledges the long-standing effort of his colleagues from the IXS Collaborative Design Team in building MERIX instrument at the XOR-IXS 30-ID beamline at the APS, in particular, J. Hill, S. Coburn (BNL), C. Burns (WMU), E. Alp, T. Toellner, and H. Sinn (APS). He is also indebted to R. Khachatryan (APS), M. Wieczorek (APS), and A. Said (APS) for the help in manufacturing the Ge(620) analyzer. P. Siddons (BNL) is acknowledged for building the microstrip detector for the MERIX spectrometer. The help of the XOR-IXS 30-ID beamline personnel at the Advanced Photon Source: T. Roberts, A. Said, and M. Upton are greatly appreciated. Use of the Advanced Photon Source was supported by the US DOE, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. S.O. acknowledges Russian Academy of Science Physical Department program 5.7 "Strongly correlated electrons," RFFI Grant No. 09-02-00171, RFFI Grant No. 10-02-00251, and the Siberian-Ural integration Project No. 40. . - ISSN 1098-0121
РУБ
Physics, Condensed Matter
Рубрики:
TRANSITION-METAL COMPOUNDS
ELECTRONIC-STRUCTURE
OPTICAL-PROPERTIES
ABSORPTION-SPECTRA
EMISSION SPECTRA
FERROMAGNET
DEPENDENCE
COMPLEXES
RAMAN
Аннотация:
Momentum-resolved resonant inelastic x-ray scattering (RIXS) spectroscopy has been carried out successfully at the Fe K-edge for the first time. The RIXS spectra of a FeBO3 single crystal reveal a wealth of information on similar or equal to 1-10 eV electronic excitations. The IXS signal resonates when the incident photon energy approaches the pre-edge (1s-3d) and the main-edge (1s-4p) of the Fe K-edge absorption spectrum. The RIXS spectra measured at the pre-edge and the main-edge show quantitatively different dependences on the incident photon energy, momentum transfer, photon polarization, and temperature. We present a multielectron analysis of the Mott-Hubbard (MH) and charge transfer (CT) excitations, and calculate their energies. Electronic excitations observed in the pre-edge and main-edge RIXS spectra are interpreted as MH and CT excitations, respectively. We propose the electronic structure around the chemical potential in FeBO3 based on the experimental data.
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Держатели документа:
[Kim, Jungho
Shvyd'ko, Yuri] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA
[Ovchinnikov, S. G.] Russian Acad Sci, Kirensky Inst, Siberian Div, Krasnoyarsk 660036, Russia
[Ovchinnikov, S. G.] Reshetnev Siberian State Aerosp Univ, Krasnoyarsk 660014, Russia
ИФ СО РАН
Advanced Photon Source, Argonne National Laboratory, Argonne, IL 60439, United States
Kirensky Institute, Siberian Division, Russian Academy of Sciences, 660036, Krasnoyarsk, Russian Federation
Reshetnev Siberian State Aerospace University, 660014, Krasnoyarsk, Russian Federation
Доп.точки доступа:
Shvyd'ko, Y.; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич
}
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13.
Chemistry of vinylidene
complexes
[Text] / A. B. Antonova [et al.]> // Russ. Chem. Bull. - 2009. -
Vol. 58
,
Is. 5
. - P955-963,
DOI
10.1007/s11172-009-0122-3. - Cited Reference Count: 35. - Гранты: This work was financially supported by the Krasnoyarsk Regional Science Foundation (Grants Nos. 10TS145 and 17G002), the Council on Grants at the President of the Russian Federation (Program for State Support of Leading Scientific Schools, Grant NSh-4137.2006.2), and the Presidium of the Russian Academy of Sciences (Program for Basic Research, Project No. 18.18). - Финансирующая организация: Krasnoyarsk Regional Science Foundation [10TS145, 17G002]; Council on Grants at the President of the Russian Federation [NSh-4137.2006.2]; Presidium of the Russian Academy of Sciences [18.18] . - MAY. - ISSN 1066-5285
Рубрики:
RAY CRYSTAL-STRUCTURE
MOLECULAR-STRUCTURE
PHENYLVINYLIDENE LIGANDS
BRIDGED
COMPLEXES
TRANSITION-METALS
CARBONYL LIGAND
BINUCLEAR
DERIVATIVES
DINUCLEAR
RHENIUM
Кл.слова (ненормированные):
vinylidene
complexes
--
heterometallic
complexes
--
manganese
--
rhenium
--
palladium
--
platinum
--
IR and NMR spectroscopy
--
X-ray diffraction study
--
Heterometallic
complexes
--
IR and NMR spectroscopy
--
Manganese
--
Palladium
--
Platinum
--
Rhenium
--
Vinylidene
complexes
--
X-ray diffraction study
Аннотация:
The reactions of Cp(CO)(2)Re=C=CHPh (2) with M(PPh(3))(4) (M = Pd, Pt) gave the mu-vinylidene
complexes
Cp(CO)(2)RePd(mu-C=CHPh)(PPh(3))(2) (3) and Cp(CO)(2)RePt(mu-C=CHPh)(PPh(3))(2) (1), respectively. The substitution of Ph(2)PCH(2)PPh(2) (dppm) for the PPh(3) ligands in 1 resulted in the formation of Cp(CO)RePt(mu-C(1)=C(2)HPh)(mu-CO)(dppm) (4). The structure of complex 4 has been determined by single-crystal X-ray diffraction analysis. The structural and spectroscopic characteristics of
complexes
1, 3, and 4 were compared with the corresponding parameters of the manganese-containing analogs Cp(CO)(2)MnPd(mu-C=CHPh)(PPh(3))(2) (5), Cp(CO)(2)MnPt(mu-C=CHPh)(PPh(3))(2) (6) and Cp(CO)(2)MnPt(mu-C=CHPh)(dppm) (7).
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Держатели документа:
Russian Acad Sci, Inst Chem & Chem Technol, Siberian Branch, Krasnoyarsk 660049, Russia
Siberian Fed Univ, Krasnoyarsk 660041, Russia
Russian Acad Sci, LV Kirensky Phys Inst, Siberian Branch, Krasnoyarsk 660036, Russia
Russian Acad Sci, AN Nesmeyanov Organoelement Cpds Inst, Moscow 119991, Russia
Доп.точки доступа:
Antonova, A.B.; Chudin, O.S.; Pavlenko, N.I.; Sokolenko, W.A.; Rubaylo, A.I.; Vasiliev, A. D.; Васильев, Александр Дмитриевич; Verpekin, V.V.; Semeikin, O.V.
}
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14.
Chemistry of vinylidene
complexes
XI. Synthesis of trinuclear MnFePt
complexes
by means of consecutive assembling out of mono- and dimetal vinylidene precursors / A. B. Antonova [et al.]> // Inorganica Chimica Acta. - 1995. -
Т. 230
,
№ 1-2
. - P. 97-104,
DOI
10.1016/0020-1693(94)04306-G . - ISSN 0020-1693. - ISSN 1873-3255
ГРНТИ
31
РИНЦ
Держатели документа:
Institute of Chemistry of Natural Organic Raw Materials, Siberian Branch, the Russian Academy of Sciences
Доп.точки доступа:
Antonova, A.B.; Johansson, A.A.; Deykhina, N.A.; Ginzburg, A.G.; Korniyets, E.D.; Kovalenko, S.V.; Pavlenko, N.I.; Petrovskii, P.V.; Rubaylo, A.I.; Sukhina, I.A.
}
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15.
Chemistry of vinylidene
complexes
XII 1. Transmetalation of the μ-vinylidene ligand in the reaction of Cp(CO)2MnPt(?-C=CHPh)(dppp) with Fe2(CO)9. Formation of new PtFe, PtFe2 and PtFe3
complexes
/ A. B. Antonova [et al.]> // Journal of Organometallic Chemistry. - 1996. -
Т. 524
,
№ 1-2
. - P. 81-85,
DOI
10.1016/S0022-328X(96)06432-7 . - ISSN 0022-328X
ГРНТИ
31.17
РИНЦ
Держатели документа:
A.N. Nesmeyanov Inst. of Organo-E.,Russian Academy of Sciences
Inst. of Chem. of Nat. Organ. Mat.,Siberian Br. of the Russian Academy
Доп.точки доступа:
Antonova, A.B.; Johansson, A.A.; Deykhina, N.A.; Korniyets, E.D.; Pavlenko, N.I.; Burmakina, G.V.; Rubaylo, A.I.; Ginzburg, A.G.; Petrovskii, P.V.
}
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16.
Chemistry of vinylidene
complexes
. 6. Electrochemical reduction and UV spectra of vinylidene derivatives of cymantrene and
complexes
with an Mn-Pt bond [Text] / A. A. Ioganson [et al.]> // Bulletin of the Academy of Sciences of the USSR. Division of Chemical Sciences. - 1987. -
Т. 36
,
№ 1
. - P46-50,
DOI
10.1007/BF00953843 . - ISSN 1066-5285. - ISSN 1573-9171
ГРНТИ
31
РИНЦ
Держатели документа:
Institute of Chemistry and Chemical Engineering,Academy of Sciences of the USSR, Siberian Branch
Доп.точки доступа:
Ioganson, A.A.; Antonova, A.B.; Trukhacheva, V.A.; Brumakina, G.V.; Rubailo, A.I.; Maksimov, N.G.; Kovalenko, S.V.; Deikhina, N.A.
}
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17.
Chemistry of vinylidene
complexes
. XIII. The reaction between Cp(CO)2MnPt(?-C=CHPh)(?2-dppm) and Fe2(CO)9: Simultaneous formation of the ?3-vinylidene MnFePt and ?4-vinylidene PtFe3 clusters. Crystal structure of (?5-C5H5)MnFePt(? 3-C=CHPh)(CO)6. / A. B. Antonova [et al.]> // Journal of Organometallic Chemistry. - 1999. -
Т. 577
,
№ 2
. - P. 238-242 . - ISSN 0022-328X
ГРНТИ
31.17
РИНЦ
Держатели документа:
A.N. Nesmeyanov Inst. Organo-E.,Russ. Acad. Sci., Vavilov S.
Inst. of Chem. and Chem. Technology,Siberian Br. Russ. Acad. Sci., K.
Доп.точки доступа:
Antonova, A.B.; Johansson, A.A.; Deykhina, N.A.; Pogrebnyakov, D.A.; Pavlenko, N.I.; Rubaylo, A.I.; Dolgushin, F.M.; Petrovskii, P.V.; Ginzburg, A.G.
}
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18.
Chemistry of vinylidene
complexes
. XVI. Crystal and molecular structure of the novel tetranuclear ?2-?3-bis-vinylidene complex (?2-dppe)PdMn(?3-C{double bond, long}CHPh)PdMn(?-C{double bond, long}CHPh)(CO)4Cp2 / A. B. Antonova [et al.]> // Journal of Organometallic Chemistry. - 2007. -
Т. 692
,
№ 8
. - P. 1641-1647,
DOI
10.1016/j.jorganchem.2006.12.012 . - ISSN 0022-328X
РИНЦ
Держатели документа:
AN Nesmeyanov Institute of Organo-Element Compounds,Russian Academy of Sciences
Institute of Chemistry and Chemical Technology,Siberian Branch,the Russian Academy of Sciences
Доп.точки доступа:
Antonova, A.B.; Deykhina, N.A.; Pogrebnyakov, D.A.; Rubaylo, A.I.; Starikova, Z.A.
}
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19.
Chemistry of vinylidene
complexes
. XVIII. Synthesis and molecular structure of the novel trinuclear mu(3)-vinylidene complex CpReFePt(mu(3)-C=CHPh)(CO)(6)(PPh(3)) / A. B. Antonova [et al.]> // J. Organomet. Chem. - 2009. -
Vol. 694
,
Is. 1
. - P. 127-130,
DOI
10.1016/j.jorganchem.2008.08.037. - Cited Reference Count: 17. - Гранты: This work was supported by the Council of the Russian Federation President for Support of Young Scientists and Leading Scientific Schools (Project No. NSch-4137.2006.2) and the Krasnoyarsk Regional Science Foundation (Grants 10TS145 and 17G002). - Финансирующая организация: Council of the Russian Federation President for Support of Young Scientists and Leading Scientific Schools [NSch-4137.2006.2]; Krasnoyarsk Regional Science Foundation [10TS145, 17G002] . - ISSN 0022-328X
Рубрики:
CLUSTERS
CRYSTAL
MNFEPT
Кл.слова (ненормированные):
Vinylidene
complexes
--
Heterometallic clusters
--
Rhenium
--
Iron
--
Platinum
--
Crystal structure
--
Crystal structure
--
Heterometallic clusters
--
Iron
--
Platinum
--
Rhenium
--
Vinylidene
complexes
--
Atomic physics
--
Atoms
--
Bond length
--
Chemical bonds
--
Coordination reactions
--
Crystal structure
--
Iron compounds
--
Nuclear magnetic resonance
--
Nuclear magnetic resonance spectroscopy
--
Platinum
--
Quantum chemistry
--
Rhenium
--
Rhenium compounds
--
Bond angles
--
Co groups
--
Double bonds
--
Fe atoms
--
Heterometallic
--
Heterometallic clusters
--
Pt atoms
--
Trimetallic
--
Vinylidene
complexes
--
X-ray diffractions
--
Platinum compounds
Аннотация:
The interaction between Cp(CO)(2)RePt(mu-C=CHPh)(PPh(3))(2) (1) and Fe(2)(CO)(9) afforded the new heterometallic mu(3)-vinylidene cluster CpReFePt(mu(3)-C=CHPh)(CO)(6)(PPh(3)) (2). An X-ray diffraction study shows the complex 2 possesses a trimetallic Re-Fe-Pt chain core. The bond lengths are Re-Fe 2.8221(8), Fe-Pt 2.5813(8) angstrom; the Re center dot center dot center dot Pt distance is 3.3523(7) angstrom; the bond angle Re-Fe-Pt is 76.55(3)degrees. The mu(3)-C=CHPh ligand is eta(1)-bound to the Re and Pt atoms and eta(2)-coordinated to the Fe atom. The C=C bond length is 1.412(4) angstrom. The Pt atom is coordinated by the PPh(3) and CO groups. Complex 2 is characterized by the IR and (1)H, (13)C and (31)P NMR spectra. (C) 2008 Elsevier B.V. All rights reserved.
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Держатели документа:
Russian Acad Sci, Inst Chem & Chem Technol, Siberian Branch, Krasnoyarsk 660049, Russia
Russian Acad Sci, Inst Phys, Siberian Branch, Krasnoyarsk 660036, Russia
Siberian Fed Univ, Krasnoyarsk 660041, Russia
Russian Acad Sci, AN Nesmeyanov Organoelement Cpds Inst, Moscow 119991, Russia
Доп.точки доступа:
Antonova, A.B.; Chudin, O.S.; Pavlenko, N.I.; Sokolenko, W.A.; Rubaylo, A.I.; Vasiliev, A. D.; Васильев, Александр Дмитриевич; Semeikin, O.V.
}
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20.
Chemistry of vinylidene
complexes
. XX. Intramolecular carbonylation of vinylidene on the MnFe center: Spectroscopic and structural study. X-ray structure of the new trimethylenemethane type MnFe complex / A. B. Antonova [et al.]> // J. Organomet. Chem. - 2011. -
Vol. 696
,
Is. 4
. - P. 963-970,
DOI
10.1016/j.jorganchem.2010.10.035. - Cited References: 52. - This work was partially supported by the Presidium of the Russian Academy of Sciences (Program for Basic Research, Project No. 7.18) and Russian Foundation for Basic Research (Grant No. 09-03-90745-mob_st). Authors are grateful to Prof. N.A. Ustynyuk for useful discussions, Dr. E.A. Shor and Dr. A.M. Shor for giving the data of quantum chemical study. . - ISSN 0022-328X
РУБ
Chemistry, Inorganic & Nuclear + Chemistry, Organic
Рубрики:
MOLECULAR-STRUCTURE
ORGANOMETALLIC CHEMISTRY
TRICARBONYL
COMPLEXES
UNSATURATED CARBENES
METAL VINYLIDENES
TRANSITION-METALS
ORGANIC-SYNTHESIS
CRYSTAL-STRUCTURE
IRON TRICARBONYL
MANGANESE
Кл.слова (ненормированные):
Manganese
--
Iron
--
Carbonyl
complexes
--
Heteronuclear vinylidene
complexes
--
Intramolecular vinylidene carbonylation
--
Trimethylenemethane
complexes
Аннотация:
Reactions of Fe-2(CO)(9) with Cp(CO)(2)Mn=C=CHPh (1) and Cp(CO)(PPh3)Mn=C=CHPh (3) gave the heterometallic trimethylenemethane
complexes
eta(4)-{C[Mn(CO)(2)Cp](CO)CHPh}Fe(CO)(3) (2) and eta(4)-{C[Mn(CO)(PPh3)Cp](CO)CHPh}Fe(CO)(3) (4), respectively. The formation of the benzylideneketene [PhHC=C=C=O] fragment included in
complexes
2 and 4 occurs via intramolecular coupling of the carbonyl and vinylidene ligands. The structures of 3 and 4 were determined by single crystal XRD methods. The influence of the nature of the L ligands at the Mn atom on the structural and spectroscopic characteristics of eta(4)-{C[Mn(CO)(L)Cp](CO)CHPh}Fe(CO)(3) (L = CO (2), PPh3 (4)) is considered. According to the VT H-1 and C-13 NMR spectra, complex 2 reversibly transforms in solution into mu-eta(1):eta(1)-vinylidene isomer Cp(CO)(2)MnFe(mu-C=CHPh)(CO)(4) (2a), whereas complex 4 containing the PPh3 ligand is not able to a similar transformation. (C) 2010 Elsevier B.V. All rights reserved.
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Держатели документа:
Russian Acad Sci, Inst Chem & Chem Technol, Siberian Branch, Krasnoyarsk 660049, Russia
Russian Acad Sci, Inst Phys, Siberian Branch, Krasnoyarsk 660036, Russia
Siberian Fed Univ, Krasnoyarsk 660041, Russia
Russian Acad Sci, AN Nesmeyanov Organoelement Cpds Inst, Moscow 119991, Russia
Доп.точки доступа:
Antonova, A. B.; Chudin, O. S.; Vasiliev, A. D.; Васильев, Александр Дмитриевич; Rubaylo, A. I.; Verpekin, V. V.; Sokolenko, W. A.; Pavlenko, N. I.; Semeikin, O. V.
}
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