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Karolina Kula Agnieszka Kcka-Zych Agnieszka apczuk-Krygier Zbigniew Wzorek Anna K. Nowak Radomir Jasiski 《Molecules (Basel, Switzerland)》2021,26(5)
The present paper is a continuation of comprehensive study regarding to synthesis and properties of pyrazoles and their derivatives. In its framework an experimental and theoretical studies of thermal decomposition of the 3,3-diphenyl-4-(trichloromethyl)-5-nitropyrazoline were performed. It was found, that the decompositions of the mentioned pyrazoline system in the solution and at the melted state proceed via completely different molecular mechanisms. These mechanisms have been explained in the framework of the Molecular Electron Density Theory (MEDT) with the computational level of B3LYP/6-31G(d). A Bonding Evolution Theory (BET) examination of dehydrochlorination of the 3,3-diphenyl-4-(trichloromethyl)-5-nitropyrazoline permits elucidation of the molecular mechanism. It was found, that on the contrary for most known HCl extrusion processes in solution, this reaction is realised via single-step mechanism. 相似文献
4.
G. Ch. Shushkevich 《Technical Physics》1998,43(7):743-748
The electrostatic problem for a thin, unclosed spherical shell and a torus is reduced to paired summation equations in the
Legendre polynomials by means of formulas relating the spherical and toroidal harmonic functions. The paired equations are
transformed to a Fredholm integral equation of the second kind. Formulas are obtained for computing the charges of the conductors
in the form of a series in a small parameter. The capacitance is computed for certain geometrical parameters of the conductors.
Zh. Tekh. Fiz. 68, 1–6 (July 1998) 相似文献
5.
Two methods for multi-element preconcentration from copper by reductive matrix precipitation are presented. In systematic investigations on the coprecipitation behaviour of Ag, Al, Au, Bi, Cd, Co, Cr, Fe, Ga, In, Mn, Mo, NJ, Pb, Sb, Se, Sn, Te and Zn during precipitation of the copper matrix as Cu2O or CuSCN, the separation parameters were optimized. By combination with a hexamethyleneammonium hexamethylenedithiocarbamate collector precipitation, a concentration of 8 elements (Cu2O precipitation) or 13 elements (CuSCN precipitation) in a small volume was achieved. The limits of detection of the procedures are, depending on the element, 0.1–5 μg g?1 for flame atomic absorption spectrometry (AAS) and 0.01–0.1 μg g?1 for graphite furnace AAS. The relative standard deviations are about 3%. The analytical performance of the procedures is compared with that of an electrolytic copper separation. 相似文献
6.
A. M. Lyudchik A. N. Krasovskii L. N. Turyshev L. Ch. Neverovich 《Journal of Applied Spectroscopy》1991,55(3):928-933
Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 55, No. 3, pp. 472–477, September, 1991. 相似文献
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Agnieszka Kaamajska 《Mathematical Methods in the Applied Sciences》2006,29(11):1307-1325
The weak limits of sequences {f(uν)}ν∈? where uν's are vector‐valued µ‐measurable functions defined on a compact set Ω and f is (possibly) discontinuous are investigated. As shown by the author (J. Conv. Anal. (to appear)), they are described in terms of integral formulae involving parametrized measures independent of f, similarly as in the classical theorem by Young and its generalization due to DiPerna and Majda. In the present paper we describe the supports of the involved parametrized measures. Copyright © 2006 John Wiley & Sons, Ltd. 相似文献
9.
Wincenty Turek Mieczyslaw Lapkowski Agnieszka Stolarczyk 《Applied Surface Science》2005,252(3):801-806
The goal of our studies was to determine the nature of interactions between catalytic active samples, such as polypyrrole (PPy) doped with: chloride anions, heteropolyacids such as H5PMo10V2O40, or H4SiW12O40, and oxygen particles. In order to reveal the mechanism of the linkage between the catalysts and oxygen we provided the electron paramagnetic resonance (EPR) measurements of synthesized samples in O2 and N2 flow. Moreover, the X-ray photoelectron spectroscopy (XPS) measurements were performed to show the properties of doped heteropolyacids and the state of nitrogen in polypyrrole matrix. The results of EPR studies of PPy(Cl), PPy(H4SiW12O40), PPy(H5PMo10V2O40) samples, show that the polypyrrole doped with chloride anions interacts much easier with oxygen than polypyrrole doped with heteropolyacids (in the above given order, of preference with the most active polypyrrole system first). It correlates with XPS results, which show that a molybdenium-vanadium anion is more reduced than a silicon-tungsten one. The redox reactions of heteropolyacids involve the oxidation-reduction of the conjugated polymer chain, leaving no or little place for interactions with oxygen. Polypyrrole doped with H4SiW12O40 shows some oxygen sensitivity as observed in the EPR studies, as opposed to polypyrrole doped with H5PMo10V2O40, which is in line with the XPS results. 相似文献
10.
H. G. Bohlen W. von Oertzen R. Kalpakchieva B. Gebauer S. M. Grimes A. Lenz T. N. Massey M. Milin Ch. Schulz Tz. Kokalova S. Torilov S. Thummerer 《Physics of Atomic Nuclei》2003,66(8):1494-1500
The structure of neutron-rich beryllium isotopes has been investigated using different heavy-ion-induced transfer reactions. In neutron transfer reactions, the population of final states shows a strong sensitivity to the chosen core nucleus, i.e., the target nuclei 9Be or 10Be, respectively. Molecular rotational bands up to high excitation energies are observed with 9Be as the core due to its pronounced 2α-cluster structure, whereas only a few states at low excitation energies are populated with 10Be as the core. For 11Be, a detailed investigation has been performed for the three states at 3.41, 3.89, and 3.96 MeV, which resulted in the most probable spin-parity assignments 3/2+, 5/2?, and 3/2?, respectively. Furthermore, we have studied particle-hole states of 16C using the 13C(12C, 9C)16C reaction and found 14 previously unknown states. Using the 12C(12C, 9C)15C reaction, five new states were observed for 15C. 相似文献