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31.
The mechanism of the formation of p-rosolic acid from trifluoromethoxybenzene under HF/Lewis acid conditions was studied using ab initio methods. A series of cationic intermediates is initiated by the expulsion of a fluorine atom of trifluoromethoxybenzene with anomeric assistance of the trifluoromethoxy oxygen. The resulting difluorocarbonium ion is attacked by a second trifluoromethoxybenzene to generate the first carbon-carbon bond on what will be the central carbon of p-rosolic acid. Elimination of phenol results in the formation of cationic intermediate 4 which is susceptible to carbon-alkylation by the same phenol to form the second carbon-carbon bond. Attack on subsequent difluorocarbonium ions by trifluoromethoxybenzene strips trifluoromethyl groups from the downstream intermediates, eventually leading to p-rosolic acid, and continues the generation of 4, each of which initiate a fresh mechanistic series toward another p-rosolic acid molecule. 相似文献
32.
Abdul‐Majid Wazwaz Randolph Rach Jun‐Sheng Duan 《Mathematical Methods in the Applied Sciences》2014,37(1):10-19
In this paper, we introduce systems of Volterra integral forms of the Lane–Emden equations. We use the systematic Adomian decomposition method to handle these systems of integral forms. The Volterra integral forms overcome the singular behavior at the origin x = 0. The Adomian decomposition method gives reliable algorithm for analytic approximate solutions of these systems. Our results are supported by investigating several numerical examples. Copyright © 2013 John Wiley & Sons, Ltd. 相似文献
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Solutions of nonlinear partial differential equations are found using an extended Maclaurin series form of the decomposition method and the Adomian polynomials. 相似文献
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Improved ion optics for introduction of ions into a 9.4‐T Fourier transform ion cyclotron resonance mass spectrometer
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Yu Chen Nathan K. Kaiser Xibei Dang Yehia M. Ibrahim Randolph V. Norheim Gordon A. Anderson Richard D. Smith Alan G. Marshall 《Journal of mass spectrometry : JMS》2015,50(1):280-284
Enhancements to the ion source and transfer optics of our 9.4 T Fourier transform ion cyclotron resonance (ICR) mass spectrometer have resulted in improved ion transmission efficiency for more sensitive mass measurement of complex mixtures at the MS and MS/MS levels. The tube lens/skimmer has been replaced by a dual ion funnel and the following octopole by a quadrupole for reduced ion cloud radial expansion before transmission into a mass‐selective quadrupole. The number of ions that reach the ICR cell is increased by an order of magnitude for the funnel/quadrupole relative to the tube lens/skimmer/octopole. Copyright © 2015 John Wiley & Sons, Ltd. 相似文献
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Hamilton JM Whitehead JR Williams NJ El Ojaimi M Thummel RP Hancock RD 《Inorganic chemistry》2011,50(8):3785-3790
DPA (dipyrido[4,3-b;5,6-b]acridine) may be considered as a tridentate homologue of phen (1,10-phenanthroline). In this paper some of the metal ion complexing properties of DPA in aqueous solution are reported. Using UV-visible spectroscopy to follow the intense π-π* transitions of DPA as a function of pH gave protonation constants at ionic strength (μ) = 0 and 25 °C of pK(1) = 4.57(3) and pK(2) = 2.90(3). Titration of 10(-5) M solutions of DPA with a variety of metal ions gave log K(1) values as follows: Zn(II), 7.9(1); Cd(II), 8.1(1); Pb(II), 8.3(1); La(III), 5.23(7); Gd(III), 5.7(1); Ca(II), 3.68; all at 25 °C and μ = 0. Log K(1) values at μ = 0.1 were obtained for Mg(II), 0.7(1); Sr(II), 2.20(1); Ba(II), 1.5(1). The log K(1) values show that the high level of preorganization of DPA leads to complexes 3 log units more stable than the corresponding terpyridyl complexes for large metal ions such as La(III) or Ca(II), but that for small metal ions such as Mg(II) and Zn(II) such stabilization is minimal. Molecular mechanics calculations (MM) are used to show that the best-fit M-N length for coordination with DPA is 2.60 ?, accounting for the high stability of Ca(II) or La(III) complexes of DPA, which are found to have close to this M-N bond length in their phen complexes. 相似文献
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We investigate methods for efficiently implementing a class of incomplete factorization preconditioners which includes Symmetric Gauss Seidel [9]. SSOR [9], generalized SSOR [1]. Dupont Kendall Rachford [4]. ICCG(0) [7], and MICCG(0) [6]. Our techniques can be extended to similar methods for nonsymmetric matrices. 相似文献
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The preparation of [8]paratropyliophane is described and its nmr spectral features are discussed with regard to ring strain and ring current shielding effects. 相似文献
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