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(17/04) Курс “Анализ геномных данных”, Москва, 2 – 11 июля 2012
Уважаемые коллеги, Со 2 по 11 июля 2012 года Учебный центр Института биологии гена РАН организует практический десятидневный курс по статистическому анализу геномных дан...
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(12/03) Впервые получено изображение атомов, движущихся в молекуле
Исследователи из Университетов Огайо и Канзаса впервые смогли получить изображения атомов, движущихся в молекуле. С помощью ультрабыстрого лазера исследователи выбивали элек...
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(12/03) Наблюдение за распределением зарядов в молекуле
Исследователи из Швейцарии впервые с помощью экспериментов смогли визуализировать распределение зарядов отдельной молекуле. Предполагается, что результаты работы могут при...
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(22/01) Простой способ разделения углеродных нанотрубок
Существуют одностенные углеродные нанотрубки [single-walled carbon nanotubes (SWCNT)] с металлическим и полупроводниковым типом проводимости, однако для использования этих...
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Результаты 1 - 10 из 19
1.

Mechanisms of Electroreduction and Electroplating of VI-A Group Metal Coatings from Ionic Melts

V. V. Malyshev

Open International University of Human Development “Ukraine”, ul. Khorevaya 1-g, Kiev-71, 04071 Ukraine

National Ukrainian Technical University “KPI”, Pr. Pobedy 37, korp. 4, Kiev-56, 03056 Ukraine

Received April 15, 2007

Abstract — Information on electroreduction mechanisms of electroplating VI-A group metal coatings from ionic melts is considered and summarized. The state of the art in this field of studies is analyzed and their prospects are discussed.

PACS numbers: 81.15.Pq

DOI: 10.1134/S2070205109040017
19/08/2009 | 634 Посещения | Печать

2.

Quantum Chemical Modeling of Hydroxide Ion Adsorption on Group IB Metals from Aqueous Solutions

I. V. Nechaev and A. V. Vvedenskii

 

Voronezh State University, Universitetskaya pl. 1, Voronezh, 394006 Russia

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Received July 9, 2008

Abstract — Interactions between hydroxide ions and (001), (011), and (111) faces of Cu, Ag, and Au in the gas phase and in an infinitely diluted aqueous solution are nonempirically studied with the density functional method (DFT) with the use of B3LYP functional. Adsorption surfaces are modeled by n-atomic clusters (n =10–18). The presence of solvent is taken into account in terms of the combined molecular–continuum model, and the effect of polarizable dielectric is estimated with the use of self-consistent solvent reaction field COSMO model. The composition and structure of hydrated hydroxide ion are found and the hydration energy is estimated in satisfactory agreement with the experimental data. Relative effects of the metal nature, crystal face orientation, and adsorption site on the adsorption characteristics are determined, and the geometrical parame-ters of the chemisorption bond and the degree of the partial charge transfer are estimated. A comparative analysis of the results obtained shows that the adsorption on-top position, which is energetically unfavorable in the gas phase, becomes prevailing in an aqueous solution, which can be explained by the increased stability of the on-top adsorption complex.

PACS numbers: 68.43.-h

DOI: 10.1134/S2070205109040029
19/08/2009 | 671 Посещения | Печать

3.

Evolution of the Structures and Sorption Properties of Dehydrochlorinated Chloropolymers during Their Thermal Conversions

Yu. G. Kryazhev, V. S. Solodovnichenko, N. V. Antonicheva, T. I. Gulyaeva, V. A. Drozdov, and V. A. Likholobov

 

Omsk Scientific Center, Siberian Division, Russian Academy of Sciences, Omsk, Russia

Institute of Problems of Hydrocarbon Processing, Siberian Division, Russian Academy of Sciences, ul. Neftezavodskaya 54,  Omsk, 644040 Russia

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Received June 5, 2008

Abstract — A microporous carbon material can be obtained by dehydrochlorination of the polymeric formulation poly(vinyl chloride)–poly(vinylidene chloride) in the presence of KOH followed by thermal treatment at a relatively low temperature (350°C in a nitrogen–oxygen gas mixture (10 : 1 w/w)). This is because the chemical dehydrochlorination gives highly reactive chloro-containing polyconjugate systems. The conversion of chloropolyene systems into carbon structures is confirmed by Raman spectroscopy and TGA with MS analysis of volatile pyrolysis products. The resulting carbon material has a system of pores including ultramicropores 6.50.5Å), micropores (16 1 Å), and mesopores (average pore size 150 7 Å).

PACS: 68.43-h

 

DOI: 10.1134/S2070205109040030
19/08/2009 | 689 Посещения | Печать

4.

On the Problem of Chromium Effect on the Passivability of Feframe0Cr Alloys

O. V. Kasparovaa*, Yu. V. Baldokhinb, G. F. Potapovaa, and M. O. Anosovac

a Karpov Institute of Physical Chemistry, Vorontsovo pole 10, Moscow, 105064 Russia

b Semenov Institute of Chemical Physics, Russian Academy of Sciences, ul. Kosygina 4, 119991 Russia

c Moscow Institute of Steel and Alloys State Technological University, Leninskii pr. 4, Moscow, 119049 Russia

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Received April 3, 2008

Abstract—The hyperfine magnetic and electronic structure of annealed iron alloys containing 9.0, 11.8, and 12.7% chromium is studied using of Mössbauer spectroscopy. Probability distribution functions of hyperfine magnetic fields P(Heff), mean-square intensities of the effective magnetic field Heff, m-sq, average isomer (chemical) shifts , and other spectral parameters are calculated with the use of computer modeling. Data from Möss-
bauer spectroscopy are compared to the results of polarization measurements in 1 N H2SO4 solution at room temperature in order to find the correlation between the electronic structure and the passivability of the alloys studied.

 

PACS: 76.80.+y; 82.45.Bb

DOI: 10.1134/S2070205109040042
19/08/2009 | 571 Посещения | Печать

5.

Thermodynamic Analysis of the Gas Phase Composition over Uraniumframe0Plutonium Carbonitride Irradiated with Fast Neutrons

G. S. Bulatov, K. N. Gedgovd, and D. Yu. Lyubimov

 

Frumkin Institute of Physical Chemistry and Electrochemistry, Russian Academy of Sciences, Moscow, Russia

Luch Research Institute (Research and Production Association, Federal Governmental Unitary Company), Russia

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Received October 14, 2008

Abstract — A thermodynamic analysis of the gas phase composition over uranium–plutonium carbonitride U0.8Pu(C0.5N0.5)0.995 irradiated with fast neutrons was carried out with respect to temperature and burnout. In the temperature range of 900–2500 K, accumulation of fission products in fuel resulted in the formation of amulticomponent gas phase containing the following basic elements and compounds: volatile (Cs, Sr, Ba, Se, Te, I, Pd, CsI, Cs2I2, BaI, SrI, BaI2, SrI2, LaSe, TeSe, and LaTe), nitrogen-containing components (N2, N, CN,frame1N2, C2N2, UN, UN2, PuN2, CsN, CeN, LaN, YN, MoN, and ZrN), carbon-containing components (C, UC, UC2, C4, PuC, PuC2, PuC4, ZrC, ZrC2, YC2, CeC2, LaC2, and NdC2), and hardly volatile metals (U, Pu, Ru, Rh, Pd, Y, Ce, La, Nd, Tc, Mo, and Zr). The partial pressures of the said gas phase components over carbonitride fuel were calculated with respect to temperature and burnout (up to 18%).

PACS: 05.70.Np

DOI: 10.1134/S2070205109040054
19/08/2009 | 633 Посещения | Печать

6.

Synthesis and Studies of Mesomorphism of New Octa-(benzo-15-crown-5)-Substituted Phthalocyanines and Transition Metal Phthalocyaninates

N. M. Logacheva, V. E. Baulina, O. B. Akopova, and A. Yu. Tsivadze

Frumkin Institute of Physical Chemistry and Electrochemistry, Russian Academy of Sciences,
Leninskii pr. 31, Moscow, 119991 Russia

a Ivanovo State University, ul. Ermaka 39, Ivanovo, 153000 Russia

Received November 24, 2008

Abstract — Previously unknown octa-(benzo-15crown-5)-substituted phthalocyanine (1) and its metallocom-
plexes with Ni(II) (2), Co(II) (3), Cu(II) (4), Zn(II) (5), and Cd(II) (6) are synthesized. The possible formation of mesophases of these compounds is predicted and their mesomorphic properties are studied. It is found that compounds 1, 2, and 4 exhibit high-temperature enantiotropic mesomorphism typical of discotic mesogenes, which is well consistent with the predicted results. Free phthalocyanine (1) reveals dimesomorphism according to the DSC and thermomicroscopic data. According to the studies of miscibility of compound 1 with discotic mesogene, 2,3,6,7,10,11-hexa(cyclohexanebenzoyloxy)triphenylene, which exhibits nematic mesomorphism. The second phase transition is identified as the transition to a nematic phase. According to the texture of this mixture, compound 1 was classified with discotic mesogenes that form columnar nematics (NCol). The first phase transition of 1 from a crystal to the mesophase was identified as columnar (Col). Phthalocyanines of cobalt (3) and copper(4) revealed latent mesomorphism according to the studies of their mixtures with the chiralnematic liquid crystal of cholesterin diphenylate.

PACS: 81.16.Fg; 81.05.Lg; 81.07.Nb

DOI: 10.1134/S2070205109040066
19/08/2009 | 631 Посещения | Печать

7.

Nickel(II), Palladium(II), Platinum(II), and Magnesium(II) Fluorene-Substituted Porphyrinates: Synthesis, Structure, and Comparative Analysis of Fluorescence Spectra

Yu. A. Plachev*, A. Yu. Chernyadyev, and A. Yu. Tsivadze

 

Frumkin Institute of Physical Chemistry and Electrochemistry, Russian Academy of Sciences, 31 Leninskii pr., str. 4, Moscow, 19991 Russia

*e-mail: Этот e-mail защищен от спам-ботов. Для его просмотра в вашем браузере должна быть включена поддержка Java-script

Received December 11, 2008

Abstract — Using free meso-tetra(2-fluorenyl)porphine (H2TFP) and nickel(II), palladium(II), and platinum(II) chlorides and an MgBr2 · Et2O complex, corresponding metal porphyrinates were synthesized with a high yield. The structures of these new compounds were studied by means of 1H NMR spectroscopy and electron absorption spectroscopy. The fluorescence spectra of the synthesized compounds in toluene solution were comparatively analyzed. Coordination of Mg2+ ion with porphyrinic cycle H2TFP significantly increases the fluorescence intensity of porphyrinic luminophore; however, the coordination of platinum metal ions (Pt2+, Pd2+) with tetrapyrrole fragment H2TPP decreases the fluorescence intensity of porphyrinic cycle and, in the case of nickel ions, fluorescence transitions disappear

PACS numbers: 81.16.Fg; 81.05.Lq; 81.07. Nb

DOI: 10.1134/S2070205109040078
19/08/2009 | 603 Посещения | Печать

8.

Influence of the Structures of Hydrogen-Bonded Dimeric Molecules on Their Adsorption at Graphitized Thermal Carbon

E. S. Kuznetsova, A. V. Ul’yanov, and A. K. Buryak

 

Frumkin Institute of Physical Chemistry and Electrochemistry, Russian Academy of Sciences,
Leninskii pr. 31, Moscow, 119991 Russia

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Received June 5, 2008

Abstract — This study is devoted to the influence of the structures of hydrogen-bonded dimeric molecules on their adsorption at graphitized thermal carbon (GTC). The thermodynamic adsorption characteristics (TACs) of amino acid dimers and dimers of amino acids with acetic acid and formamide at GTC were determined. The results obtained for the adsorption of dimeric molecules at the carbon sorbent were compared with the calculated data for the molecules of the corresponding amino acids at GTC. The geometric parameters of dimeric molecules were varied to analyze the influence of the hydrogen bond lengths on the TACs of the compounds under study.

PACS: 68.43.-h

DOI: 10.1134/S207020510904008X
19/08/2009 | 703 Посещения | Печать

9.

To the Mutual Effect of Surfaces of Nanometallic Systems and Reagents in Chemisorption Layers

N. P. Socolova and A. Yu. Tsivadze

 

Institute of Physical Chemistry and Electrochemistry, Russian Academy of Sciences, Leninskii pr. 31, Moscow, 119991 Russia

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Received August 8, 2008

Abstract — Transformations of the carbon-monoxide adsorption layers on metallic nanosystems including group VIII metals are studied with the use of Fourier-transform infra-red (FTIR) spectroscopy. Depending on the experimental conditions, not only the state of the chemisorption layers, but also the surface structure of the systems changes.

PACS: 68.43.-h, 81.65. Rv

DOI: 10.1134/S2070205109040091
19/08/2009 | 628 Посещения | Печать

10.

Numerical Simulation of Structure Transformation Processes as the Basis for Regulating the Properties of Nanodisperse Composition Systems and Materials

I. V. Kuchin and N. B. Uriev

 

Frumkin Institute of Physical Chemistry and Electrochemistry, Russian Academy of Sciences,
Leninskii pr. 31, Moscow, 119991 Russia

Received December 26, 2007

Abstract — Using computer simulations, the regularities of structure formation in disperse systems under dynamic conditions that predetermine the nature of the structure formed and, hence, the properties of obtained nanodisperse composition materials (materials with a nanodisperse component) are considered. Phenomena of the appearance and the development of a macroscopic structural heterogeneity, namely, the break in continuity of the structure in highly concentrated systems are reproduced, as are the conditions for the removing the break using surface active substances and vibrational impacts, which allows one to control the properties of disperse materials synthesized based on highly disperse solid phases.

PACS: 47.57.qk, 81.07.Wx

DOI: 10.1134/S2070205109040108
19/08/2009 | 661 Посещения | Печать

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