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981.
982.
The new mixed oxide having composition close to Ca7Co3Ga5O18 was synthesized from CaCO3, Co3O4 and Ga2O3 at 1150 °C in air and studied by neutron and synchrotron X-ray powder diffraction, selected-area electron diffraction and high-resolution electron microscopy. The structure was refined, using time-of-flight (TOF) neutron powder diffraction data, in space group F432, with and Z=8, to RF=0.7%. It is considerably disordered, with four different tetrahedral sites randomly occupied by Co and Ga atoms at a ratio of 1:2. The tetrahedra form a disordered (Co1/3Ga2/3)O2 3D-framework inside which isolated CoO6 octahedra, surrounded by 8 Ca atoms, are located. The structure is related to the ordered structure of Ca14Al10Zn6O35. Electron diffraction patterns confirmed the symmetry and unit cell and revealed no diffuse scattering. High-resolution electron microscopy images showed the absence of extended structural defects. 相似文献
983.
Lil+2。TiZ。Mg。P3012是一种具有较高离子导电车的快离子导体材料,其结晶化学和电导性能都已经进行了深入的研究,表明化合物具有规整的三维骨架结构,h离子位于骨架间隙中,并且其离子电导率随温度升高而增加*.作者曾应用”P固体高分辨NMR技术对该固港体系统的微观晶体结构进行了研究,分析了Mg’“离子部分替代Ti‘“离子后,化合物骨架结构的特征*.但对该体系的Li离子微观动态行为的研究还没有开展,在这里我们应用、i固体NMR技术研究了L计的状态及其动态行为,在此基J由上分析了Li离子可能的迁移机理.1实验部分’LiNMR… 相似文献
984.
法呢基苯乙酮及其黄烷酮化合物的全合成 总被引:4,自引:0,他引:4
以2,4,6-三羟基苯乙酮和法呢基溴为原料,经一步反应以52.0%和6.5%的收率同时得到3-法呢基-2,4,6-三羟基苯乙酮(1)和4-法呢氧基-2,6-二羟基苯乙酮(2);然后以化合物1和3,4-二羟基苯甲醛为原料,经羟基保护、缩合、环化和去保护基共6步反应,以19.8%的总收率全合成了(±)-6-法呢基-3',4',5,7-四羟基黄烷酮(3).化合物1、2和3均是从澳大利亚植物Borroniaramosa中分离得到的新天然产物,此次为首次合成. 相似文献
985.
In the work described in this paper, 7-hydroxyflavone and chrysin were phosphoylated by a modified Atheron-Todd reaction. Three new phosphorylated flavonoids (PF) were obtained, and the structures of the target products were determined by X-ray and NMR data and electrospray ionization (ESI) tandem mass spectroscopy (MS). The mixed solutions of the phosphorylated flavonoids and different proteins such as insulin, lysozyme, and cytochrome c were injected in an ion trap mass spectrometer. The results show that all the phosphorylated flavonoids could form non-covalent complexes with the proteins mentioned above, while non-covalent complexes were not detected from the mixed solution of the chrysin or 7-hydroxyflavone with proteins. The research shows that the phosphorylated flavonoids could enhance the interaction with proteins. It may imply their important role in biological processes. The method described in this paper provides us additional information for studying such interactions for phosphorylated flavonoids in this important field. 相似文献
986.
SCFab initio and PCILO computations indicate the intrinsic preference of the torsion angle for 60 °. In the crystal structure of simple methylamides and peptides the observed values for this torsion angle lie between 0 °–30 °. Different procedures for computing lattice energies and total crystallographic conformational energies (lattice + torsional) utilized by other authors, failed to account for this situation. We show that the procedure developed recently in our laboratory for computing lattice energies indicates that the minima of these energies for in acetamide and N-methylacetamide correspond well to 0 °–30 °. Because of the low value of the barrier of the torsional potential for this angle, the total crystallographic conformational energy corresponds also to = 0 °–30 ° in agreement with the experimental data. 相似文献
987.
J. A. M. Janssen 《Journal of statistical physics》1989,57(1-2):171-185
The master equation for chemical reactions that proceed through a number of steps (complex reactions) is considered. Examples are studied in which the reaction constant of one of the steps is much larger than the others, and a reduced master equation is derived by means of a projection operator formalism. This reduction amounts to an elimination of intermediates. The consistency of the scheme is shown by means of the-expansion. 相似文献
988.
P. M. Lam 《Journal of statistical physics》1989,54(3-4):1081-1089
Exact calculations using transfer matrices on finite strips are performed to study the two-dimensional problem of site percolation clusters with an attractive nearest neighbor interaction. Thermodynamic quantities such as free energy per site and specific heat are calculated. Finite-size scaling with two strips of different widths yields very accurate approximations of the critical line and the correlation length exponent. The result shows clearly a site percolation fixed point at very high temperatures, a random animal fixed point at intermediate temperatures, a point for the collapse of lattice animals at lower temperatures, and a compact-cluster fixed point at the lowest temperatures.On leave from Institute of Theoretical Physcis, Chinese Academy of Sciences, Beijing, China. 相似文献
989.
IntroductionMolecularpolymerwithonedimensionalormultidimen sionalstructureassemblingthroughhydrogenbondsisanim portantresearchcontentinthesupramolecularchemistryandcrystalenginnering .1,2 Withthedevelopmentofnewtypefunctionalmaterialssuchasmolecularmagnetic ,selectedcatalysis ,reversiblecatalysis ,reversiblehost guestmolecular(ion)exchangeetc.,3themoleculardesignandsynthesishavealreadyattractedconsiderableattentioninsupramolecu larsystem .Thesupramolecularcomplexesandorganiccom poundscontainin… 相似文献
990.
The two-dimensional (2D) data structure generated under a high resolution GC×GC system with a small number of samplings taken across the first dimension is evaluated for the purpose of the application of chemometric deconvolution methods. Chemometric techniques such as generalized rank annihilation method (GRAM) place high demands on the reproducibility of chromatographic experiments. For GRAM to be employed for GC×GC data interpretation, it is critical that the separation method provides data with a bilinear structure; the peak-shape and retention times on both columns must be reproducible. With a limited number of samplings across a 1D (first dimension) peak (e.g. four to six samplings) repeatability of the pattern of the modulated peaks (controlled by the modulation phase) becomes important in producing a bilinear data structure. Reproducibility of modulation phase can be affected by both reliability of the modulation period and reproducibility of the retention time of the peak on the first column (which arises from oven temperature and carrier flow rate stability). Evaluation of within-run and run-to-run retention time reproducibility (retention time uncertainty) on both columns, and modulation phase reproducibility using a modulated cryogenic system for a pair of overlapping components (fatty acid methyl esters) was undertaken. An investigation of the quality of data to permit quantification of each component by using GRAM deconvolution, was also conducted. Less than 4% run-to-run retention time uncertainty was obtained on column 1 and less than 9% run-to-run and within-run retention time uncertainty was obtained on column 2, where these R.S.D. measures are reported normalised to peak widths on each respective dimension. The R.S.D. of duplicate quantification results by GRAM ranged from 2 to 26% although the average quantification error using GRAM was less than 5%. 相似文献