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71.
Alexander A. Korlyukov Mikhail Yu. Antipin Aleksander I. Albanov Eleonora A. Zel’bst 《Journal of organometallic chemistry》2009,694(5):607-615
The reaction of fluorosilanes XYSiF2 (X = Y = F; X = F, Y = Ph; X = Ph, Y = Me) with diethanolamines and their O-trimethylsilyl derivatives affords novel Si-fluoro substituted quasisilatranes 3, 5 and 9. These compounds were characterized by the multinuclear NMR spectroscopy and X-ray diffraction analysis. Experimental and theoretically calculated electron density distribution functions in crystal structure of 9 have shown that the N → Si coordination bond corresponds to polar bond with pronounced ionic contribution. Calculated N → Si bond order in the compound 9 does not exceed 1/3 of the normal Si-N bond. A strong N → Si coordination bond exists in compounds 3, 5 and 9 the length of which varies in the range 1.98-2.175 Å. 相似文献
72.
Aleksander Jablonski 《Journal of Computational and Applied Mathematics》1980,6(3):171-175
A Monte Carlo method for solving systems of non-linear equations is presented and discussed. The method does not require the differentiation of left side functions of the system and provides the solution with arbitrary accuracy, although it may be applied only to systems with not too large a number of equations. Illustrative examples are given. 相似文献
73.
74.
Aleksander Koll Maria Rospenk Lech Stefaniak Jacek Wjcik 《Journal of Physical Organic Chemistry》1994,7(4):171-177
Dipole moments, average molecular weights and IR spectra of 2-oxoidoline (I), 2-oxo-3-methylindoline (II) and 2-oxo-3,3-dimenthylindoline (III) and their N-methyl-substituted analogues were studied in CCl4 solutions at various concentrations. It was shown that the molecules with an N B bond associate exclusively to cyclic dimers. The values of the association constants (K) were determined by IR spectrometry. Other methods gave too broad intervals of possible K values. The spectroscopic association constants of compounds I–III are very similar, 380, 350 and 370 dm3 mol−1, respectively. The vs(NH) band shift on association is 275 cm−1. 相似文献
75.
Aleksander Filarowski Andrzej Kochel Katarzyna Cieslik Aleksander Koll 《Journal of Physical Organic Chemistry》2005,18(10):986-993
X‐ray measurements at 100 K and quantum‐mechanical calculations showed a domination of the enol (OH) form in o‐hydroxyaryl ketones [6‐methoxy‐2‐hydroxyacetophenone ( 6OMeK ), 4‐methoxy‐2‐hydroxyacetophenone ( 4OMeK ), 5‐chloro‐4‐methyl‐2‐hydroxybenzophenone ( 5Cl4MeK ) and 2‐hydroxyacetonaphthone ( o ‐HAN )], whereas a prevailing proton‐transfer (NH) form was found in o‐hydroxyacetonaphthylimine [2‐(N‐methyl‐α‐iminoethyl)naphthol ( o ‐HIN )]. The effective mechanism of the reduction in hydrogen bridge length due to steric repulsion in the o‐hydroxyaryl ketones is presented. The following phenomena were found: a decrease in phenol ring aromaticity caused by the proton‐transfer process, dependence of the HOMA index of aromaticity on the HOSE index defining the destabilization of the chelate ring and a dependence of the HOMA index on the lengths of the carbonyl bonds. Moreover, a correlation between phenol ring aromaticity [HOMA(phenol)] and the pseudo‐aromatic ring [HOSE(chelate)] is shown. Correlations between structural parameters of the chelate ring [d(C—O), d(Caryl—Calkyl)] and aromatic rings [HOMA(phenol)] of the o‐hydroxyaryl ketimines and ketones are presented. Copyright © 2005 John Wiley & Sons, Ltd. 相似文献
76.
Anna Frydrychewicz Aleksander T. Bieguński Krystyna Jackowska Galina A. Tsirlina 《Journal of Solid State Electrochemistry》2008,12(9):1085-1091
Polycarbonate (PC) membranes of different porosity (from 50 nm to 400 nm pore size) were used as separators in a thin layer
cell for palladium electrodeposition. Atomic force microscopy (AFM) confirmed the formation of Pd layer between the cathode
and porous membrane, with subsequent growth inside the pores induced by space limitations of further growth of initial layer.
Our estimates confirm that at this stage Pd deposit feels the pronounced mechanical pressure and consider it as a possible
reason of specific hydrogen sorption behaviour in the region of β-phase hydride formation. Up to c.a. 1.0 H/Pd atomic ratio
is observed for some samples. We consider possible (nano)structural peculiarities responsible for this behaviour. 相似文献
77.
The kinetic and mechanism of thermal decay of transition metal acrylates or its cocrystallites are studied. At 200–300°C the rate of thermal decay can be described by first-order rate equations. The thermal transformations of the metal-containing monomers under study involve dehydration, solid-phase polymerization and thermolysis processes. The composition of products of the thermal transformations are studied. The products of the decay are analyzed by optical and electron microscopy as well as by magnetic measurements, IR and mass spectroscopy. The main solid-state products of decomposition are nanometer-sized particles of metal or its oxide and ferrites with a narrow size distribution stabilized by the polymeric matrix. The average particle sizes, Lav, are 6.0–13.0 nm in the case of FeAcr3 and 6.0 nm for cocrystallites FeCoAcr and Fe2CoAcr. © 1998 John Wiley & Sons, Ltd. 相似文献
79.
Faria Huq Dr. Ignacio Sanjuán Sabrina Baha Michael Braun Dr. Aleksander Kostka Vimanshu Chanda João R. C. Junqueira Dr. Nivedita Sikdar Prof. Dr. Alfred Ludwig Prof. Dr. Corina Andronescu 《ChemElectroChem》2022,9(1):e202101279
Gas diffusion electrodes (GDE) obtained by sputtering metal films on polytetrafluoroethylene (PTFE) membranes are among the most performant electrodes used to electrochemically reduce CO2. The present work reveals several essential aspects for fabricating performant PTFE-based gas diffusion electrodes (GDEs) for CO2 electroreduction (CO2R). We show that adding an additive layer (a mixture of carbon and Nafion™ or Nafion™ only) is required for stabilizing the metal catalyst film (Cu), deposited via sputtering on the PTFE membrane, during the CO2R experiments. We found that the PTFE membrane thickness used in the GDE fabrication plays an essential role in electrode performance. The quantification of the products formed during the CO2R conducted in a flow-cell electrolyzer revealed that on thinner membranes, CO2R is the dominant process while on thicker ones, the H2 formation is promoted. Thus, the PTFE membrane influences the CO2 transport to the catalyst layer and can be used to promote the CO2R while maintaining a minimum H2 production. 相似文献
80.
Mikhail V. Vener Andrei V. Churakov Alexander P. Voronin Olga D. Parashchuk Sergei V. Artobolevskii Oleg A. Alatortsev Denis E. Makhrov Alexander G. Medvedev Aleksander Filarowski 《Molecules (Basel, Switzerland)》2022,27(3)
Two new peroxosolvates of drug-like compounds were synthesized and studied by a combination of X-ray crystallographic, Raman spectroscopic methods, and periodic DFT computations. The enthalpies of H-bonds formed by hydrogen peroxide (H2O2) as a donor and an acceptor of protons were compared with the enthalpies of analogous H-bonds formed by water (H2O) in isomorphic (isostructural) hydrates. The enthalpies of H-bonds formed by H2O2 as a proton donor turned out to be higher than the values of the corresponding H-bonds formed by H2O. In the case of H2O2 as a proton acceptor in H-bonds, the ratio appeared reversed. The neutral O∙∙∙H-O/O∙∙∙H-N bonds formed by the lone electron pair of the oxygen atom of water were the strongest H-bonds in the considered crystals. In the paper, it was found out that the low-frequency Raman spectra of isomorphous crystalline hydrate and peroxosolvate of N-(5-Nitro-2-furfurylidene)-1-aminohydantoin are similar. As for the isostructural hydrate and peroxosolvate of the salt of protonated 2-amino-nicotinic acid and maleic acid monoanion, the Raman spectra are different. 相似文献