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21.
Yusuke Kaminaga Takahiro Yamada Hisanori Yamane 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(7):i57-i58
A new quaternary oxide, calcium yttrium stannate, Ca0.8Y2.4Sn0.8O6, is isostructural with Mg3TeO6 (trigonal, R). The empirical formula can be expressed as (Ca0.2667Y0.7333)6(Y0.4Sn0.6)SnO12. The Ca/Y site has a distorted coordination octahedron of O atoms, with Ca/Y—O distances ranging from 2.227 (3) to 2.350 (3) Å, while the octahedra of O atoms that coordinate to the Sn and Y/Sn sites are nearly regular, with an Sn—O distance of 2.066 (2) Å and a Y/Sn—O distance of 2.147 (3) Å. 相似文献
22.
Some results of approximate ab initio calculations of the “correlation” contribution to the true parameters of the pi electron hamiltonian are presented for the ethylene molecule. In particular, by using sum-of-the-pairs type generalized perturbation theory, it is shown that there is a large core “correlation” contribution to singlet-triplet splittings within pi electron theories that results from the difference in the degree of ionicity of the isoconfigurational states. 相似文献
23.
Bo Jiang Hui Song Yunqing Kang Shengyao Wang Qi Wang Xin Zhou Kenya Kani Yanna Guo Jinhua Ye Hexing Li Yoshio Sakka Joel Henzie Yamauchi Yusuke 《Chemical science》2020,11(3):791
Generating high surface area mesoporous transition metal boride is interesting because the incorporation of boron atoms generates lattice distortions that lead to the formation of amorphous metal boride with unique properties in catalysis. Here we report the first synthesis of mesoporous cobalt boron amorphous alloy colloidal particles using a soft template-directed assembly approach. Dual reducing agents are used to precisely control the chemical reduction process of mesoporous cobalt boron nanospheres. The Earth-abundance of cobalt boride combined with the high surface area and mesoporous nanoarchitecture enables solar-energy efficient photothermal conversion of CO2 into CO compared to non-porous cobalt boron alloys and commercial cobalt catalysts.Generating high surface area mesoporous transition metal boride is challenging but interesting because incorporation of boron atoms can generate lattice distortion to form amorphous metal boride which has unique properties in catalysis. 相似文献
24.
Heating a toluene solution of Cp*(CO)(C5H5N)FeSiMe2NPh2 led to insertion of pyridine into the iron-silicon bond to form Cp*(CO)Fe[eta3(C,C,C)-C5H5NSiMe2NPh2]. 相似文献
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A method is presented that can be used (a) to determine the several lowest eigenvalues and eigenvectors of large symmetric matrices, (b) to solve the generalized eigenvalue problem associated with energy-dependent operators, that arises in computations involving energy-dependent many-body Green's functions and in the evaluation of the true parameters of the effective valence shell hamiltonian, and (c) to directly evaluate the matrices associated with resolvent operators. The applicability to large configuration mixing calculations arises when the N-electron basis functions can be easily broken down to a few dominant configurations (the primary block) and their complement. Using the partitioning technique, the effective hamiltonian within the primary block is directly evaluated. The method is extended to evaluation of the dynamical polarizability tensor, which effectively contains the contributions from all of the eigenstates of a hamiltonian matrix, without the necessity of explicitly calculating its eigenvalues and eigenvectors. 相似文献
27.
Wataru Ueda Damian Vitry Tomokazu Kato Nobufumi Watanabe Yusuke Endo 《Research on Chemical Intermediates》2006,32(3-4):217-233
Mo-V-O-based complex metal oxide catalysts were synthesized hydrothermally for the first time, characterized structurally and tested in the selective oxidation of propane to acrylic acid, and the results obtained were compared on the basis of catalyst crystal structures in order to clarify key aspects of alkane selective oxidation over multifunctional metal oxide catalysts. The catalysts tested were black solids of rod-shaped crystals, which had a layer structure in the direction of fiber axis and various high dimensional arrangements of metal octahedra in the cross-section plane. A strong dependency on the octahedra arrangements and a facet dependency were observed, and the roles of metal elements in the course of selective oxidation of propane were clarified by comparing the catalytic performance of various Mo-V-O-based catalysts. We discuss the multi-functional character derived from high dimensional structures of the catalysts and mechanism of the selective oxidation of propane. 相似文献
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Kim SY Saxena A Kwak G Fujiki M Kawakami Y 《Chemical communications (Cambridge, England)》2004,(5):538-539
Cooperative amplification of the C-F...Si weak interaction between side chains and the main chain was found to afford rigid rodlike helical polysilanes with a preferential screw sense. 相似文献
30.
The ruthenium-catalysed double addition of trimethylsilyldiazomethane to alkynes developed by Dixneuf and co-workers was applied to the synthesis of 2-alkyl- or 2-aryl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,4-bis(trimethylsilyl)-1,3-butadienes by use of alkynylboronates instead of alkynes. Di- and tetrasubstituted 1,3-butadienes were prepared from a 2-boryl-1,4-disilyl-1,3-butadiene, using the Suzuki-Miyaura coupling reaction, iodolysis of the alkenylsilane moieties with N-iodosuccinimide and hydrolysis of the carbon-silicon bonds with trifluoroacetic acid. The same compound was converted also to a bicyclic compound, a trisubstituted 1,3-butadiene and a dienone through the Diels-Alder reaction, oxidation of the alkenylboronate moiety and the Mukaiyama aldol reaction. 相似文献