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901.
902.
Dmitry V. Moiseev Vera A. Morugova Andrey S. Shavirin Victor A. Dodonov 《Journal of organometallic chemistry》2004,689(4):731-737
Tetraphenylantimony(V) carboxylates have been used in the palladium-catalyzed C-phenylation reaction of methyl acrylate in the presence of (PhCO2)2 or t-BuOOH under mild conditions (50 °C). The peroxides promote a cascade participation of the organoantimony compound and result in the transfer of three phenyl groups. Organoantimony intermediates have been isolated from the reaction. 相似文献
903.
Ya.G. Groda P. Argyrakis G.S. Bokun V.S. Vikhrenko 《The European Physical Journal B - Condensed Matter and Complex Systems》2003,32(4):527-535
The selfconsistent diagram approximation (SCDA) is generalized for three-dimensional lattice gases with nearest neighbor repulsive
interactions. The free energy is represented in a closed form through elementary functions. Thermodynamical (phase diagrams,
chemical potential and mean square fluctuations), structural (order parameter, distribution functions) as well as diffusional
characteristics are investigated. The calculation results are compared with the Monte Carlo simulation data to demonstrate
high precision of the SCDA in reproducing the equilibrium lattice gas characteristics. It is shown that similarly to two-dimensional
systems the specific statistical memory effects strongly influence the lattice gas diffusion in the ordered states.
Received 7 August 2002 / Received in final form 22 January 2003 Published online 24 April 2003 相似文献
904.
Intra and intermolecular interactions of heptasulfur imide (S7NH) are investigated in terms of topological properties analyses, such analyses are applied to both experimental (multipole model) and theoretically calculated (DFT and PDFT calculations) charge densities of the isolated molecule and of the crystal. The same analyses are also applied to a multipole model density obtained from theoretically (PDFT) derived structural amplitudes. The covalent bond character of S-N, N-H and S-S bonds are well described in terms of density, ρb, and total energy density, Hb, at the bond critical point rc, though it is clear that the S-S bonds are weaker shared interactions than those of N-H and S-N bonds. Lone pair electron regions of sulfur and nitrogen atoms are revealed as the local charge concentration site from the Laplacian of charge density. The even weaker intermolecular interactions are well characterized; these include the N-H?S hydrogen bonding, N?S binding interactions and S?S binding interactions. All these intermolecular binding interactions are closed-shell interactions. The Laplacian of charge density demonstrates a directional intermolecular binding interaction. The corresponding intermolecular binding energies are derived by MP2/6-311+G(d,p) calculations. Atomic graph of each atom of the molecule is described in detail by the vertices, edges and faces of the polyhedron around the nucleus to illustrate such directional interactions. 相似文献
905.
Habibe Bayhan 《Journal of Physics and Chemistry of Solids》2004,65(11):1817-1822
Thin film CdS/CdTe solar cells have been prepared by conventional vacuum deposition technique. Deep level transient spectroscopy (DLTS), temperature and frequency dependent capacitance-voltage (C-V) measurements were utilised to investigate the performance limiting defect states in the CdTe layer subjected to the post deposition treatments such as CdCl2-dipping and/or annealing in air. Five hole traps, all of which have been previously reported in the literature, were identified in as-grown CdTe at 0.19, 0.20, 0.22, 0.30 and 0.40 eV above the valence band. A single hole trap level has been evidenced at 0.45 eV after both post deposition heat and CdCl2 treatments. 相似文献
906.
Richard P. Kent IV 《Geometriae Dedicata》2004,106(1):145-159
We answer a question of J. Anderson's by producing infinitely many commensurability classes of fibered hyperbolic 3-manifolds whose fundamental groups contain subgroups that are locally free and not free. These manifolds are obtained by performing 0–surgery on a collection of knots with the same properties. 相似文献
907.
Chunlin Li Yilu Fu Guozhu Bian Tiandou Hu Yaning Xie Jing ZhanDepartment of Chemical Physics University of Science and Technology of China Hefei China Institute of High Energy Physics Chinese Academy of Sciences Beijing China 《天然气化学杂志》2003,12(3)
The Ni/CeO2-ZrO2-Al2O3 catalyst with different Al2O3 and NiO contents were prepared by hydrothermal synthesis method. The catalytic performance for CO2 reforming of CH4 reaction, the interaction among components and the relation between Ni content and catalyst surface basicity were investigated. Results show that the interaction between NiO and Al2O3 is stronger than that between NiO and CeO2-ZrO2.The addition of Al2O3 can prevent the formation of large metallic Ni ensembles, increase the dispersion of Ni, and improve catalytic activity, but excess Al2O3 causes the catalyst to deactivate easily. The interaction between NiO and CeO2 results in more facile reduction of surface CeO2. The existence of a small amount of metallic Ni can increase the number of basic sites. As metallic Ni may preferentially reside on the strong basic sites, increasing Ni content can weaken the catalyst basicity. 相似文献
908.
《Magnetic resonance in chemistry : MRC》2003,41(1):61-64
Palladium(II) dichloride reacts with 1,10‐bis(2‐pyrrolyl)‐2,5,9‐triaza‐1,9‐decadiene to give a [Pd(C15H20N5)]Cl complex in which the ligand is four‐coordinated, leaving one pyrrole group dangling. By using COSY, gHSQC, gHMBC connectivities and NOE experiments it has been concluded that one linkage isomer exists in DMSO solution, in spite of the fact that different sets of N atoms of potentially pentadentate ligand might be involved in coordination, and that the three chelate rings in the complex cation are arranged in a sequence: five‐membered, six‐membered, five‐membered which is different from that (5–5–6) found by x‐ray studies on the related [Ni(C15H20N5)]Cl compound. NMR studies allowed an unambiguous assignment of all 1H and 13C NMR resonances for the complex. Results of x‐ray structural analysis of [Pd(C15H20N5)](CH3COO)H2O supported the five‐membered, six‐membered, five‐membered ring sequence in the [Pd(C15H20N5)]+ complex cation and show an E (trans) orientation of the dangling pyrrole group with respect to the metal center. Copyright © 2002 John Wiley & Sons, Ltd. 相似文献
909.
910.
DEBACHE Abdelmadjid BOULCINA Raouf TAFER Radia BELFAITAH Ali RHOUATI Salah CARBONI Bertrand 《中国化学》2008,26(11):2112-2116
The synthesis of 1,2,3,4-dihydropyrimidinone/thione derivatives was achieved in good to excellent yields using calcium(II) nitrate as catalyst to promote the Biginelli three-component condensation reaction from a diversity of aromatic aldehydes, β-keto compounds and urea or thiourea. The reaction was carried out under solvent-free conditions. 相似文献