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Shabanov, V. F.
Some peculiarities in combination scattering spectra of molecular complexes / V. F. Shabanov, V. E. Volkov, A. V. Korshunov // J. Appl. Spectrosc. - 1970. - Vol. 13, Is. 3. - P. 1241-1244, DOI 10.1007/s10812-018-0578-8. - Cited References: 8 . - ISSN 0021-9037

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Публикация на русском языке Шабанов, Василий Филиппович. О некоторых особенностях в спектрах комбинационного рассеяния света малых частот молекулярных комплексов [Текст] / В. Ф. Шабанов, В. Е. Волков, А. В. Коршунов // Журнал прикладной спектроскопии. - 1970. - Т. 13 вып. 3. - С. 521-525

Держатели документа:
L. V. Kirensky Institute of Physics, Siberian Branch of the Russian Academy of Sciences, Krasnoyarsk, Russian Federation

Доп.точки доступа:
Volkov, V. E.; Волков, Валентин Ефремович; Korshunov, A. V.; Коршунов, Анатолий Васильевич; Шабанов, Василий Филиппович
}
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MALAKHOVSKII, A. V.
COVALENCY EFFECT IN A D-D TRANSITION IN OCTAHEDROL COMPLEXES / A. V. MALAKHOVSKII, G. G. VASILIEV // Fiz. Tverd. Tela. - 1982. - Vol. 24, Is. 2. - P. 585-588. - Cited References: 12 . - ISSN 0367-3294

РУБ Physics, Condensed Matter

WOS
Доп.точки доступа:
VASILIEV, G. G.
}
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Malakhovskii, A. V.
Covalency as source of intensity for d-d transitions in octahedral complexes / A. V. Malakhovskii, G. G. Vasilev // Phys. Status Solidi B. - 1983. - Vol. 118, Is. 1. - P. 337-344, DOI 10.1002/pssb.2221180139. - Cited References: 24 . - ISSN 0370-1972

РУБ Physics, Condensed Matter

WOS
Доп.точки доступа:
Vasilev, G. G.; Малаховский, Александр Валентинович
}
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MALAKHOVSKII, A. V.
THE ORIGIN OF ANOMALOUS TEMPERATURE DEPENDENCES OF INTENSITIES OF SPIN-FORBIDDEN D-D TRANSITIONS IN OCTAHEDRAL COMPLEXES / A. V. MALAKHOVSKII, G. G. VASILJEV // Solid State Commun. - 1983. - Vol. 48, Is. 4. - P. 353-356, DOI 10.1016/0038-1098(83)90739-1. - Cited References: 13 . - ISSN 0038-1098

РУБ Physics, Condensed Matter

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Scopus
Держатели документа:
L.V. Kirensky Institute of Physics, Academy of Sciences, the USSR, 660036 Krasnoyarsk, Russian Federation
ИФ СО РАН
Доп.точки доступа:
VASILJEV, G. G.; Малаховский, Александр Валентинович
}
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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

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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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

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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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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Synthesis and study of iron-containing fullerene complexes / G. N. Churilov [et al.] // Tech. Phys. - 1997. - Vol. 42, Is. 9. - P. 1111-1113, DOI 10.1134/1.1258784. - Cited References: 9 . - ISSN 1063-7842

РУБ Physics, Applied
Рубрики:
C-60

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Держатели документа:
Russian Acad Sci, LV Kirensky Phys Inst, Siberian Branch, Krasnoyarsk 660036, Russia
ИФ СО РАН

Доп.точки доступа:
Churilov, G. N.; Чурилов, Григорий Николаевич; Bayukov, O. A.; Баюков, Олег Артемьевич; Petrakovskaya, E. A.; Петраковская, Элеонора Анатольевна; Korets, A. Y.; Isakova, V. G.; Исакова, Виктория Гавриловна; Titarenko, Y. N.
}
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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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10.

Chemistry of vinylidene complexes: XIV. Synthesis and NMR and IR study of heterometallic PdMn, PdFe2, and PdFe3 complexes with Ph2PCH2CH2PPh2 chelating ligand / A. A. Ioganson [et al.] // Russian Journal of General Chemistry. - 1999. - Т. 69, № 6. - P847-855 . - ISSN 1070-3632. - ISSN 1608-3350

ГРНТИ

31.17

РИНЦ
Держатели документа:
Inst. of Chem. and Chem. Technology,Siberian Division,Russian Academy of Sciences
Доп.точки доступа:
Ioganson, A.A.; Antonova, A.B.; Deikhina, N.A.; Pogrebnyakov, D.A.; Pavlenko, N.I.; Burmakina, G.V.; Rubailo, A.I.; Petrovskii, P.V.; Ginzburg, A.G.
}
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11.

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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12.

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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13.

Theoretical study of the toroidal forms of carbon and related endohedral complexes with lithium / A. A. Kuzubov [et al.] // Phys. Solid State. - 2001. - Vol. 43, Is. 10. - P. 1982-1988, DOI 10.1134/1.1410643. - Cited References: 11 . - ISSN 1063-7834

РУБ Physics, Condensed Matter

Аннотация: The atomic and electron structures of toroidal carbon molecules (C-240 and two C-120 isomers) and related endohedral complexes with lithium (Li-2@C-n and Li-4@C-n) were theoretically studied using both nonempirical (3-21G basis set) and semiempirical (MNDO) calculation schemes. For the metal-containing compounds, the behavior of lithium atoms embedded into internal cavities of the carbon framework was studied using methods of molecular dynamics. It is demonstrated that the structure of electron levels of metal-containing carbon complexes exhibits an embedded state in the forbidden band, which appears due to the presence of electrons accepted from metal atoms. The position of this embedded state and the bandgap width depend both on the initial carbon structure and on the amount of metal atoms incorporated. (C) 2001 MAIK "Nauka/Interperiodica".

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Держатели документа:
Krasnoyarsk State Tech Univ, Krasnoyarsk, Russia
Russian Acad Sci, Siberian Div, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia
Russian Acad Sci, Inst Chem & Chem Technol, Siberian Div, Krasnoyarsk, Russia
ИФ СО РАН
ИХХТ СО РАН
Krasnoyarsk Stt. Tech. University, Krasnoyarsk, Russian Federation
Kirensky Institute of Physics, Siberian Division, Russian Academy of Sciences, Akademgorodok, Krasnoyarsk, 660036, Russian Federation
Inst. of Chem. and Chem. Technology, Siberian Division, Russian Academy of Sciences, Krasnoyarsk, Russian Federation

Доп.точки доступа:
Kuzubov, A. A.; Кузубов, Александр Александрович; Avramov, P. V.; Аврамов, Павел Вениаминович; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Varganov, S. A.; Tomilin, F. N.; Томилин, Феликс Николаевич
}
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14.

Electronic and atomic structures of the isomers of endohedral and exohedral fullerene complexes with two lithium atoms / A. A. Kuzubov [et al.] // Phys. Solid State. - 2001. - Vol. 43, Is. 9. - P. 1794-1799, DOI 10.1134/1.1402242. - Cited References: 21 . - ISSN 1063-7834

РУБ Physics, Condensed Matter
Рубрики:
VIBRATION-ROTATION BANDS
   INFRARED ROTATION
   C-60
   BUCKMINSTERFULLERENE
   ION
Аннотация: The electronic structures of all the possible isomers of endohedral and exohedral C(60) fullerene complexes with two lithium atoms are theoretically investigated. It is found that the electronic structures of these compounds are characterized by an impurity filled-level state determining the band gap. The location of the impurity state and, correspondingly, the band gap of the exohedral fullerene complexes depend on the coordination mode and the distance between the alkali metal ions. A similar dependence is observed for the total energy of the exohedral fullerene complex under investigation. (C) 2001 MAIK "Nauka/ Interperiodica".

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Держатели документа:
Krasnoyarsk State Tech Univ, Krasnoyarsk, Russia
Russian Acad Sci, LV Kirensky Phys Inst, Siberian Div, Krasnoyarsk 660036, Russia
Russian Acad Sci, Inst Chem & Chem Technol, Siberian Div, Krasnoyarsk 660036, Russia
ИФ СО РАН
ИХХТ СО РАН

Доп.точки доступа:
Kuzubov, A. A.; Кузубов, Александр Александрович; Avramov, P. V.; Аврамов, Павел Вениаминович; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Varganov, S. A.; Tomilin, F. N.; Томилин, Феликс Николаевич
}
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15.

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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16.

Lopatin, V. N.
Modelling optical properties of organic-mineral complexes in water ecosystems / V. N. Lopatin, N. V. Shepelevich, I. V. Prostakova // J. Phys. D. - 2005. - Vol. 38, Is. 15. - P. 2556-2563, DOI 10.1088/0022-3727/38/15/005. - Cited References: 22 . - ISSN 0022-3727

РУБ Physics, Applied
Рубрики:
SCANNING FLOW-CYTOMETRY
   LIGHT-SCATTERING
   STRATIFIED SPHERE
   PARTICLES
   INDEX
Кл.слова (ненормированные):
Approximation theory -- Ecosystems -- Inverse problems -- Light scattering -- Mathematical models -- Refractive index -- Suspensions (fluids) -- Water -- Generalization -- Integral light scattering indicatrix -- Organic-mineral complexes -- Spherical particles -- Complexation
Аннотация: Characteristics of organic-mineral complexes have been theoretically and experimentally studied in the paper, based on the method of integral light scattering indicatrix. Modelling of optical properties was realized using models of the coated spherical particles with a shell which is constant and changeable in the refractive index profile. General regularities have been revealed and generalized parameters for the method of integral light scattering indicatrix have been suggested.

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Держатели документа:
Res Inst Ecol Fish Breeding & Terraneous Biosyst, Krasnoyarsk 660017, Russia
Russian Acad Sci, Siberian Div, Inst Computat Modeling, Krasnoyarsk 660036, Russia
ИВМ СО РАН
Research Institute of Ecology of Fish-Breeding and Terraneous Biosystems, Krasnoyarsk, 66017, Russian Federation
Institute of Computational Modeling, Siberian Division, Russian Academy of Sciences, Krasnoyarsk, 660036, Russian Federation

Доп.точки доступа:
Shepelevich, N. V.; Prostakova, I. V.
}
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17.

Magnetic resonance in Cu(hfac)2LR heterospin chain polymer complexes / G. A. Petrakovskii [et al.] // J. Struct. Chem. - 2006. - Vol. 47, Is. 3. - P. 447-452, DOI 10.1007/s10947-006-0321-9. - Cited References: 4 . - ISSN 0022-4766
Аннотация: Cu(hfac)2 chain polymer heterospin complexes with pyrazole-substituted nitronylnitroxides (LR, where R = Me, Et) with a composition Cu(hfac)2LR, exhibiting structural rearrangements with magnetic effects in the solid state at reduced temperatures, were studied by magnetic resonance. The magnetic resonance spectrum changes substantially for substituents of different types. The results of this study are discussed in the context of the cluster approach in view of the specific crystal structure of the compounds.

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Публикация на русском языке Магнитный резонанс в гетероспиновых цепочечно-полимерных комплексах Cu(HFAC)2LR [Текст] / Г. А. Петраковский [и др.] // Журн. структ. химии. - 2006. - Т. 47 № 3. - С. 462-467

Доп.точки доступа:
Petrakovskii, G. A.; Петраковский, Герман Антонович; Vorotynov, A. M.; Воротынов, Александр Михайлович; Velikanov, D. A.; Великанов, Дмитрий Анатольевич; Shiyan, Ya. G.; Шиян, Ярослав Германович; Ovcharenko, V. I.; Овчаренко В. И.; Ikorskii, V. N.; Икорский В. Н.; Romanenko, G. V.; Романенко Г. В.; Fursova, E. Yu.; Фурсова Е. Ю.; Shimchak, R.; Шимчак Р.
}
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18.

Avramov, P. V.
Mechanisms of inelastic scattering of low-energy protons by C6H6, C-60, C6F12, and C60F48 molecules / P. V. Avramov, B. I. Yakobson, G. E. Scuseria // Phys. Solid State. - 2006. - Vol. 48, Is. 1. - P. 177-184, DOI 10.1134/S106378340601032X. - Cited References: 23 . - ISSN 1063-7834

РУБ Physics, Condensed Matter
Рубрики:
DYNAMICS SIMULATIONS
   FULLERENES
   COMPLEXES
   BUCKMINSTERFULLERENE
   HELIUM
   ATOMS
Аннотация: The mechanisms of inelastic scattering of low-energy protons with a kinetic energy of 2-7 eV by C6H6, C6F12, C-60, and C60F48 molecules are studied using the methods of quantum chemistry and nonempirical molecular dynamics. It is shown that, for the C6H6 + proton and C-60 + proton systems, starting from a distance of 6 angstrom from the carbon skeleton, the electronic charge transfer from the aromatic molecule to H+ occurs with a probability close to unity and transforms the H+ ion into a hydrogen atom and the neutral C6H6 and C-60 molecules into cation radicals. The mechanism of interaction of low-energy protons with C6F12 and C60F48 molecules has a substantially different character and can be considered qualitatively as the interaction between a neutral molecule and a point charge. The Coulomb perturbation of the system arising from the interaction of the noncompensated proton charge with the Mulliken charges of fluorine atoms results in an inversion of the energies of the electronic states localized, on the one hand, on the positively charged hydrogen ion and, on the other hand, on the C6F12 and C60F48 molecules. As a result, the neutral molecule + proton state becomes the ground state. In turn, this inversion makes the electronic charge transfer energetically unfavorable. Quantum-chemical and molecular-dynamics calculations on different levels of theory showed that, for fluorine derivatives of some aromatic structures (C6F12, C60F48), the barriers to proton penetration through carbon hexagons are two to four times lower than for the corresponding parent systems (C6H6, C-60). This effect is explained by the absence of active pi-electrons in the case of fluorinated molecules.

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Держатели документа:
Russian Acad Sci, LV Kirensky Phys Inst, Siberian Div, Krasnoyarsk 660036, Russia
Rice Univ, Ctr Biol & Environm Nanotechnol, Houston, TX 77005 USA
ИФ СО РАН
Kirensky Institute of Physics, Siberian Division, Russian Academy of Sciences, Akademgorodok, Krasnoyarsk, 660036, Russian Federation
Center for Biological and Environmental Nanotechnology, Rice University, Houston, TX 77005-1892, United States

Доп.точки доступа:
Yakobson, B. I.; Scuseria, G. E.; Аврамов, Павел Вениаминович
}
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19.

Density-functional model cluster studies of EPR g tensors of F-s(+) centers on the surface of MgO / C. . Di Valentin [et al.] // J. Chem. Phys. - 2006. - Vol. 124, Is. 4. - Ст. 44708, DOI 10.1063/1.2161190. - Cited References: 37 . - ISSN 0021-9606

РУБ Physics, Atomic, Molecular & Chemical
Рубрики:
ELECTRONIC G-TENSORS
   CORRELATION-ENERGY
   MGO(001) SURFACE
   OXYGEN VACANCIES
   SPIN-ORBIT
   G-VALUES
   ATOMS
   APPROXIMATION
   COMPLEXES
   MOLECULES
Кл.слова (ненормированные):
Density-functional model cluster -- Single-crystalline thin films -- Spin-orbit interaction -- Anisotropy -- Paramagnetic resonance -- Single crystals -- Tensors -- Thin films -- Magnesium compounds
Аннотация: We report g tensors of surface color centers, so-called F-s(+) centers, of MgO calculated with two density-functional approaches using accurately embedded cluster models. In line with recent UHV measurements on single-crystalline MgO film, we determined only small g-tensor anisotropies and negative shifts Delta g equivalent to g-g(e) for all F-s(+) sites considered, namely, (001)-terrace, step, edge, and corner sites. The g values are very sensitive to the local structure of the defect: relaxation reverses the sign of Delta g. However, accounting for the spin-orbit interaction either self-consistently or perturbatively yields very similar results. In addition to the values of the tensor components, their direction with respect to the surface was determined. In contrast to edges, significant deviations from ideal C-2v symmetry were found for F-s(+) centers at steps. Recent data on single-crystalline thin films are reevaluated in the light of these results. (c) 2006 American Institute of Physics.

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Держатели документа:
ICREA, Barcelona 08010, Spain
Univ Barcelona & Parc Cientif Barcelona, Dept Quim Fis, Barcelona 08028, Spain
Univ Barcelona & Parc Cientif Barcelona, Ctr Especial Recerca Quim Teor, Barcelona 08028, Spain
Max Planck Gesell, Fritz Haber Inst, Dept Phys Chem, D-14195 Berlin, Germany
Russian Acad Sci, Inst Chem & Chem Technol, Krasnoyarsk 660049, Russia
Univ Milan Bicocca, Dipartimento Sci Mat, I-20125 Milan, Italy
Tech Univ Munich, Dept Chem Theoret Chem, D-85747 Garching, Germany
ИХХТ СО РАН
Dipartimento di Scienza dei Materiali, Universit? degli Studi Milano-Bicocca, 20125 Milano, Italy
Institucio Catalana de Recerca i Estudis Avanats (ICREA), 08010 Barcelona, Spain
Departament de Quimica Fisisca, Centre Especial de Recerca en Quimica Teorica, Parc Cientific de Barcelona, 08028 Barcelona, Spain
Fritz-Haber Institut, Max-Planck Gesellschaft, Department of Chemical Physics, Faradayweg 4-6, D-14195 Berlin, Germany
Institute of Chemistry and Chemical Technology, Russian Academy of Sciences, 660049 Krasnoyarsk, Russian Federation
Department Chemie, Theoretische Chemie, Technische Universitat Munchen, 85747 Garching, Germany

Доп.точки доступа:
Di Valentin, C.; Neyman, K. M.; Risse, T.; Sterrer, M.; Fischbach, E.; Freund, H. J.; Nasluzov, V. A.; Pacchioni, G.; Rosch, N.
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20.

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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