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Yu. A. Dyadin F. V. Zhurko I. V. Bondaryuk G. O. Zhurko 《Journal of inclusion phenomena and macrocyclic chemistry》1991,10(1):39-56
Experimental data on the investigation of the water-trimethyleneoxide system,P, t, x phase diagram (up to 6 kbar) are presented. The results are compared with those on water systems with ethyleneoxide, 1,3- and 1,4-dioxane, 1,3-dioxolane and tetrahydrofuran, on the basis of which a summarizedP, t, x diagram is plotted for water-cyclic ether systems. It is shown that in all the systems in which a cubic structure II hydrate forms at 1 bar, it eventually turns to cubic structure I under pressure. The nature of high pressure hydrates is discussed.Dedicated to the memory of D. W. Davidson. 相似文献
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Different variants of the Gaussian approximation, giving the energetic characteristics of molecules with chemical accuracy (±2 kcal mol–1), are applied to calculations of the deprotonation energy of the sulfuric acid molecule in the gas phase as well as to the simplest clusters modeling the bridging hydroxyl groups in zeolites, The conclusion is made that the bridging hydroxyls am more acidic than the sulfuric acid molecule. The estimated range of deprotonation energy in zeolites (275±15 kcal mol–1), is in good agreement with experimental data and with results ofab initio calculations for extended models including several tens of atoms. The effects of the quality of the basis set and electron correlation on deprotonation energy are also discussed.Translated fromIzvestiya Akademii Nauk. Seriya Khimicheskaya. No. 7, pp. 1641–1647, July, 1996. 相似文献
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Yu. A. Dyadin F. V. Zhurko T. V. Mikina R. K. Udachin 《Journal of inclusion phenomena and macrocyclic chemistry》1990,9(1):37-49
P,T,X phase diagrams of the CH2Cl2-H2O, the CHCl3-H2O and the CCl4-H2) systems have been studied by DTA in the pressure range 10–3 to 5.0 kbar. Under pressure the cubic structure II (CS-II) hydrates forming in all the systems are replaced by hydrates with the composition M·7.3 H2O whose stoichiometry and positive dT/dP values of melting lead us to believe that they are CS-I hydrates.In the CH2Cl2 and CHCl3 systems the nonvariant point coordinates of the hydrate transformationQ
2
h
(l1h17h7l2, where l1 and l2 are liquid phases abundant in water and hydrate former, respectively, h17 and h7 are hydrates with hydrate numbers 17 and 7, respectively) areP = 0.6 kbar, T = –1.5°C andP =2.65 kbar,T = –10.5°C, respectively. In the CCl4 system the 4-phaseQ
3
h
point (l1h17h7s, where s is crystalline CCl4) has coordinatesP = 0.75 kbar and T = 0.4°C.The main obstacle of the present study, the very slow achievement of equilibrium, has been eliminated by adding small amounts (0.25% by mass) of surfactants followed by ultrasonic mixing. We have shown that this accelerates the achievement of equilibrium without changing its position. 相似文献
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G. A. Zhurko V. V. Aleksandriiskii V. A. Burmistrov 《Journal of Structural Chemistry》2006,47(4):622-628
Quantum chemical calculations of the structure and conformational state of a number of Shiff bases have been performed. 13C NMR spectra of investigated molecules were calculated and compared with experimental data to test verification of the used calculation model. The effect of terminal substituents on the conformation of azomethines and a relation between the conformation and 13C NMR chemical shift were examined. 相似文献
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Mariya V. Edeleva Igor A. Kirilyuk Dmitry P. Zubenko Irina F. Zhurko Sylvain R. A. Marque Didier Gigmes Yohann Guillaneuf Elena G. Bagryanskaya 《Journal of polymer science. Part A, Polymer chemistry》2009,47(23):6579-6595
The H‐atom transfer reaction was studied for a series of imidazoline, imidazolidine, and pyrrolidine‐based alkoxyamines containing either isobutyrate‐2‐yl or 1‐phenylethyl alkyl fragments. The C O bond homolysis rate constants and activation energies were determined by 1H NMR product analysis as a function of temperature. Inter‐ and intramolecular H‐atom transfer reactions were distinguished by examination of alkoxyamine thermolysis products in the absence and in the presence of a radical scavenger (thiophenol or deuterated styrene). A correlation between the structure of the nitroxyl fragment of alkoxyamine and the H‐transfer reaction was found. The high steric demands of the substituents on the nitroxyl part of the isobutyrate‐2‐yl alkoxyamine decrease both types of reaction. For alkoxyamines containing the 1‐phenylethoxyamines, neither inter‐ nor intramolecular H‐atom transfer was observed. Controlled polymerization of methylmethacrylate initiated with imidazoline‐based alkoxyamine was observed, although the polymer obtained was not living. © 2009 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 47: 6579–6595, 2009 相似文献
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Sergey A. Dobrynin Mikhail S. Usatov Irina F. Zhurko Denis A. Morozov Yuliya F. Polienko Yurii I. Glazachev Dmitriy A. Parkhomenko Mikhail A. Tyumentsev Yuri V. Gatilov Elena I. Chernyak Elena G. Bagryanskaya Igor A. Kirilyuk 《Molecules (Basel, Switzerland)》2021,26(19)
Stable free radicals are widely used as molecular probes and labels in various biophysical and biomedical research applications of magnetic resonance spectroscopy and imaging. Among these radicals, sterically shielded nitroxides of pyrrolidine series demonstrate the highest stability in biological systems. Here, we suggest new convenient procedure for preparation of 3-carboxy-2,2,5,5-tetraethylpyrrolidine-1-oxyl, a reduction-resistant analog of widely used carboxy-Proxyl, from cheap commercially available reagents with the yield exceeding the most optimistic literature data. Several new spin labels and probes of 2,2,5,5-tetraethylpyrrolidine-1-oxyl series were prepared and reduction of these radicals in ascorbate solutions, mice blood and tissue homogenates was studied. 相似文献
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YU.A. Dyadin E.G. Larionov A.Yu. Manakov A.V. Kurnosov F.V. Zhurko E.Ya. Aladko A.I. Ancharov B.P. Tolochko M.A. Sheromov 《Journal of inclusion phenomena and macrocyclic chemistry》2002,42(3-4):213-218
The pressure dependence (0.4 Mpa–1.3 GPa) of the hydrate decomposition temperatures in the sulfur hexafluoride-water system has been studied. In addition to the known low-pressure hydrate SF617H2O of Cubic Structure II, two new high-pressure hydrates have been found. X-ray analysis in situ showed the gas hydrate forming in the sulfur hexafluoride-water system above 50 MPa at room temperature to be of Cubic Structure I. The ability of water to form hydrates whose structures depend on the guest molecule size under normal conditions and at high pressures is discussed. 相似文献