Hydrothermal Synthesis and Structure of [（PbCl2）μ-PyZ）1/2]n （Pyz = Pyrazine）

1 INTRODUCTION Because of the flexibility of Pb(II) coordination sphere and the nonstereospecific nature of halide anions[1], the chemistry of lead halide complexes has been developed in recent years. Especially PbX2- based coordination polymers with nitrogen-contain- ing Lewis bases have attracted renewed interest[2～11]. The choice of ligand and the reaction condition are of great importance in determining the final topo- logy of the supramolecular materials. But the avail- able struc…     

Theoretical Studies on the Si（001）-SiO2 Interface Structure

1 INTRODUCTION Silicon and its alloy have been widely applied in such fields as electronic industry, high-temperature structural ceramics, etc. In addition, the researches on silicon and its relevant materials greatly promote the rapid development of modern optics and infor- mation technology. Therefore, more and more at- tention is focused on the structure of silicon, oxide of silicon and the interfaces between silicon and metal or nonmetal. As an ideal passive film on the Si surface, S…     

Synthesis and crystal structure of the octahedral cluster complex [Th(DMSO)8Cl][Re6Se7Cl7]

A cluster complex of the composition [Th(DMSO)₈Cl][Re₆Se₇Cl₇] has been obtained by interaction of ThCl₄ solution in DMSO with a water solution of K₃[Re₆Se₇Cl₇] and KCl. The compound crystallizes in the rhombic space group Pbcm with unit cell parameters a = 12.262(2) Å, b = 19.653(6) Å, c = 23.603(6) Å, V = 5688(2) ų, Z = 4, d _calc = 3.282 g/cm³. The structure is built from centrosymmetric cluster anions [Re₆Se₇Cl₇]^3? and complex cations [Th(DMSO)₈Cl]³⁺ possessing mirror-plane symmetry, half of the DMSO ligands being doubly disordered.     

A microspectroscopic study of the electronic homogeneity of ordered and disordered Sr2FeMoO6

Disordered Sr₂FeMoO₆ shows a drastic reduction in saturation magnetization compared to highly ordered samples, moreover magnetization as a function of the temperature for different disordered samples shows qualitatively different behaviours. We investigate the origin of such diversity by performing spatially resolved photoemission spectroscopy on various disordered samples. Our results establish that e_xtensive electronic inhomogeneity, arising most probably from an underlying chemical inhomogeneity in disordered samples, is responsible for the observed magnetic inhomogeneity. It is further pointed out that these inhomogeneities are connected with composition fluctuations of the type Sr₂Fe_1+x Mo_1-x O₆ with Fe-rich (x > 0) and Mo-rich (x < 0) regions. Dedicated to Prof J Gopalakrishnan on his 62nd birthday.     

Synthesis and adsorption properties of gold nanoparticles within pores of surface‐functional porous polymer microspheres

Mesoporous polymer microspheres with gold (Au) nanoparticles inside their pores were prepared considering their surface functionality and porosity. The Au/polymer composite microspheres prepared were characterized by transmission electron microscope (TEM), X‐ray diffraction (XRD), and Brunauer–Emmett–Teller (BET) techniques. The results showed that the adsorption of Au nanoparticles could be increased by imparting the pore structure and surface‐functional groups into the supporting polymer microspheres (in this study, poly (ethylene glycol dimethacrylate‐co‐acrylonitrile) and poly (EGDMA‐co‐AN) system). Above all, from this study, it was established that the porosity of the polymer microspheres is the most important factor that determines the distribution and adsorption amount of face‐centered cubic (fcc) Au nanoparticles in the final products. Our study showed that the continuous adsorption of Au nanoparticles with the aid of the large surface area and surface interaction sites formed more favorably the Au/polymer composite microspheres. The BET measurements of Au/poly(EGDMA‐co‐AN) composite microspheres reveals that the adsorption of Au nanoparticles into the pores kept the pore structure intact and made it more porous. © 2004 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 42: 5627–5635, 2004     

Conditional expectation of integrands and random sets

The conditional expectation of integrands and random sets is the main tool of stochastic optimization. This work wishes to make up for the lack of real synthesis about this subject. We improve the existing hypothesis and simplify the corresponding proofs. In the convex case we especially study the problem of the exchange of conditional expectation and subdifferential operators.     

The effects of O deficiency on the electronic structure of rutile TiO2

Ab initio density functional calculations (plane wave GGA, CASTEP) were performed to determine the effect of O deficiency on the electronic structure of rutile, TiO₂. O deficiency was introduced through either the removal of O or the insertion of interstitial Ti atoms. At physically realistic concentrations of O vacancies in the rutile lattice (i.e. 25% and less) O deficiency results in the population of the bottom of the conduction band, the location of the Ti 3d orbitals in the pure structure, increasingly with increasing vacancy concentration. We propose that this could be confused with the formation and population of gap states especially where O vacancies occur in isolated positions in the lattice. In contrast, Ti interstitials introduce a defect state into the energy gap, without an overall reduction in the size of the energy gap. O vacancies result in a spin polarized solution, whereas Ti interstitials do not.     

Photoemission study of the modification of the electronic structure of transition-metal overlayers on TiO2 surfaces II. Cr on TiO2(0 0 1)

The electronic states of the Cr overlayers on TiO₂(0 0 1) surfaces have been investigated using angle-resolved and resonant photoemission spectroscopy with synchrotron radiation. At lower coverages, Cr deposition on TiO₂(0 0 1) creates two well separated in-gap emissions due to the formation of surface Ti³⁺ (3d¹) ions and Cr³⁺ (3d³) ions. At higher coverages, the in-gap emission is developed into the 2-peak-structure emission of Cr 3d character. The corresponding state is considered to be of metallic nature from the viewpoint of the high ability of oxygen adsorption, but has no Fermi edge, indicating a possibility of forming small Cr clusters on TiO₂(0 0 1) at this stage.     

Bohr-Mottelson转动谱公式参数之间的新关系式

在利用Harris两参数公式研究Bohr-Mottelson转动谱公式参数之间的关系的基础上,改用Harris三参数公式,并由此提出了Bohr-Mottelson转动谱公式参数之间的新关系式,进而用I(I+1)四参数展开式计算了A～60,80,130,140,150,190区超形变偶偶核的基带和锕系和稀土区正常形变核基带,讨论了参数之间的关系,发现新关系式与实验较好地符合.     

Crystallographic report: Bis(norfloxacin)dilead(II) tetranitrate, [Pb2(H‐Norf)2(ONO2)4]

The centrosymmetric binuclear structure of [Pb₂(H‐Norf)₂(ONO₂)₄]shows the geometry around each lead(II) atom to be distorted trigonal bipyramidal with Pb–O distances ranging from 2.357(3) to 2.769(4) Å. Copyright © 2003 John Wiley & Sons, Ltd.