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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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Itinerant in-plane magnetic fluctuations and many-body correlations in NaxCoO2 / M. M. Korshunov [et al.] // Phys. Rev. B. - 2007. - Vol. 75, Is. 9. - Ст. 94511, DOI 10.1103/PhysRevB.75.094511. - Cited References: 47 . - ISSN 1098-0121

РУБ Physics, Condensed Matter
Рубрики:
TRANSITION-METALS
   WAVE-FUNCTIONS
   HUBBARD-MODEL
   FERMI-SURFACE
   ENERGY-BANDS
   FERROMAGNETISM
   APPROXIMATION
   DIMENSIONS
   SYSTEMS
   FIELD
Аннотация: Based on the ab initio band structure for NaxCoO2, we derive the single-electron energies and the effective tight-binding description for the t(2g) bands using projection procedure. Due to the presence of the next-nearest-neighbor hoppings, a local minimum in the electronic dispersion close to the Gamma point of the first Brillouin zone forms. Correspondingly, in addition to a large Fermi surface, an electron pocket close to the Gamma point emerges at high doping concentrations. The latter yields a scattering channel, resulting in a peak structure of the itinerant magnetic susceptibility at small momenta. This indicates dominant itinerant in-plane ferromagnetic fluctuations above a certain critical concentration x(m), in agreement with neutron scattering data. Below x(m), the magnetic susceptibility shows a tendency toward the antiferromagnetic fluctuations. We further analyze the many-body effects on the electronic and magnetic excitations using various approximations applicable for different U/t ratios.

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Держатели документа:
Russian Acad Sci, LV Kirensky Phys Inst, Siberian Branch, Krasnoyarsk 660036, Russia
Max Planck Inst Phys Komplexer Syst, D-01187 Dresden, Germany
Tech Univ Braunschweig, Inst Math & Theoret Phys, D-38106 Braunschweig, Germany
Russian Acad Sci, Ural Div, Inst Met Phys, Yetaterinburg 620041, Russia
ИФ СО РАН
L. V. Kirensky Institute of Physics, Siberian Branch, Russian Academy of Sciences, 660036 Krasnoyarsk, Russian Federation
Max-Planck-Institut fur Physik Komplexer Systeme, D-01187 Dresden, Germany
Institute fur Mathematische und Theoretische Physik, TU Braunschweig, 38106 Braunschweig, Germany
Institute of Metal Physics, Russian Academy of Sciences, Ural Division, 620041 Yekaterinburg GSP-170, Russian Federation

Доп.точки доступа:
Korshunov, M. M.; Коршунов, Максим Михайлович; Eremin, I.; Shorikov, A.; Anisimov, V. I.; Renner, M.; Brenig, W.
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    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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