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81.
Time-independent quantum mechanical (TIQM) approach (helicity basis truncated at k = 2) has been used for computing differential and integral cross sections for the exchange reaction H- + D2 (v = 0, j = 0-4) --> HD + D- and D- + H2 (v = 0, j = 0-3) --> HD + H- in three dimensions on an accurate ab initio potential energy surface. It is shown that the j-weighted differential reaction cross section values are in good agreement with the experimental results reported by Zimmer and Linder at four different relative translational energies (Etrans = 0.55, 0.93, 1.16 and 1.48 eV) for (H-, D2) and at one relative translational energy (Etrans = 0.6 eV) by Haufler et al. for both (H-, D2) and (D-, H2) collisions. The j-weighted integral reaction cross section values are in good agreement with the crossed beam measurements by Zimmer and Linder in the Etrans range 0.5-1.5 eV and close to the guided ion beam results by Haufler et al. for (H-, D2) in the range 0.8-1.2 eV. Time-dependent quantum mechanical (TDQM) results obtained using centrifugal sudden approximation are reported in the form of integral reaction cross section values as a function of Etrans in the range 0.3-3.0 eV for both reactions in three dimensions on the same potential energy surface. The TDQM reaction cross section values decline more sharply than the TIQM results with increase in the initial rotational quantum number (j) for the D2 molecules in their ground vibrational state (v = 0) for (H-, D2) collisions. The computed j-weighted reaction cross section values are in good agreement with the experimental results reported by Zimmer and Linder for (H-, D2) collisions and guided ion beam results by Haufler et al. for both (H-, D2) and (D-, H2) collisions for energies below the threshold for electron detachment channel. 相似文献
82.
A novel route to the synthesis of cyclopropane derivatives is described. 1,1-Dimethyls in 2-(1,1-dimethylalkyl)dimethyloxazolines are first converted into 1,3-diiodide derivatives via Pd-catalyzed sequential C-H activation and then radically cyclized to provide 2-(1-alkylcylclopropyl)dimethyloxazolines. The use of EtOAc as a solvent is crucial for the diiodination of the functionalized substrates. [reaction: see text] 相似文献
83.
Recent progress in sigma-chelation directed C-H functionalization from the authors' group is described to illustrate the challenges and opportunities in the development of synthetically-useful catalytic reactions involving C-H activation as the key step. Emphasis is placed on strategies for developing catalysis under mild conditions and controlling regio- and stereoselectivity. 相似文献
84.
G. G. Melikyan A. B. Sargsyan V. S. Giri R. T. Grigoryan Sh. O. Badanyan 《Chemistry of Heterocyclic Compounds》1988,24(3):258-263
The regiochemistry of the reaction of 1,2- and 1-substituted derivatives of 1-buten-3-yne and its 4- and 2,4-substituted derivatives of the isoprenoid type with acetoacetic ester and acetylacetone in the presence of the manganese(III) acetate-copper(II) acetate oxidative system was studied. Derivatives of 4,5-dihydrofuran, furan, and hexahydrobenzofuran were obtained.Communication 137 from the series Reactions of unsaturated compounds. See [1] for communication 136.Translated from Khimiya Geterotsiklicheskikh Soedinenii, Vol. 24, No. 3, pp. 317–323, March, 1988. 相似文献
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87.
Saumen Hajra Ananta Karmakar Aswini Kumar Giri Sunit Hazra 《Tetrahedron letters》2008,49(22):3625-3627
(+)- and (−)-Methylenolactocins and phaseolinic acids are synthesized in four steps via asymmetric syn- and anti-aldol reactions of chiral N-succinyl-2-oxazolidinones using the same set of reagents. 相似文献
88.
89.
A model system consisting of ferromagnetic Ising chains coupled antiferromagnetically to neighboring chains is studied by regarding each chain as lying in a molecular field produced by its neighbors. Analytical and numerical results indicate that the phase transition in a magnetic field at low temperatures is second-order. 相似文献
90.