First Cr(III)-SNS complexes and their use as highly efficient catalysts for the trimerization of ethylene to 1-hexene

Cr(III) complexes of tridentate SNS ligands have been prepared and evaluated as catalysts for ethylene trimerization, with several giving very high activity and excellent selectivity toward 1-hexene when activated with methylaluminoxane. The new complexes illustrate the potential of sulfur-based ligands on early transition metals for catalysis.     

Activation of the dienophilicity of indoles in normal electron demand [4 + 2] cycloadditions under high pressure

[reaction: see Text] Activation by either high pressure or a combination of Lewis acid catalysis and high pressure allows indole derivatives to behave as dienophiles in [4 + 2] cycloaddition reactions under mild conditions. The biactivation mode has the highest impact on the stereoselectivity of the reaction. The cycloadducts resulting from these reactions are characterized by boat-shape conformations that bear well-defined orthogonal planes.     

Antimatter and matter production in heavy ion collisions at CERN (The NEWMASS experiment NA52)

Besides the dedicated search for strangelets NA52 measures light (anti)particle and (anti)nuclei production over a wide range of rapidity. Compared to previous runs the statistics has been increased in the 1998 run by more than one order of magnitude for negatively charged objects at different spectrometer rigidities. Together with previous data taking at a rigidity of ?20 GeV/c we obtained $10^6 \bar p, 10^3 \bar d$ and two $\overline {^3 He} $ without centrality requirements. We measured nuclei and antinuclei (p, d, $\bar p,\bar d$ ) near midrapidity covering an impact parameter range of b ～ 2–12 fm. Our results strongly indicate that nuclei and antinuclei are mainly produced via the coalescence mechanism. However, the centrality dependence of the antibaryon to baryon ratios shows that antibaryons are diminished due to annihilation and breakup reactions in the hadron dense environment. The volume of the particle source extracted from coalescence models agrees with results from pion interferometry for an expanding source. The chemical and thermal freeze-out of nuclei and antinuclei appear to coincide with each other and with the thermal freeze-out of hadrons.     

Reflection and transmission of waves near the localization threshold

A theory is presented for propagation of waves in bounded media near the mobility edge, based on the self-consistent theory for localization. It predicts a spatially inhomogeneous diffusion constant that leads to scale dependence in enhanced backscattering and transmission.     

Optimization of auxiliary basis sets for the LEDO expansion and a projection technique for LEDO-DFT

We present a systematic procedure for the optimization of the expansion basis for the limited expansion of diatomic overlap density functional theory (LEDO-DFT) and report on optimized auxiliary orbitals for the Ahlrichs split valence plus polarization basis set (SVP) for the elements H, Li--F, and Na--Cl. A new method to deal with near-linear dependences in the LEDO expansion basis is introduced, which greatly reduces the computational effort of LEDO-DFT calculations. Numerical results for a test set of small molecules demonstrate the accuracy of electronic energies, structural parameters, dipole moments, and harmonic frequencies. For larger molecular systems the numerical errors introduced by the LEDO approximation can lead to an uncontrollable behavior of the self-consistent field (SCF) process. A projection technique suggested by L?wdin is presented in the framework of LEDO-DFT, which guarantees for SCF convergence. Numerical results on some critical test molecules suggest the general applicability of the auxiliary orbitals presented in combination with this projection technique. Timing results indicate that LEDO-DFT is competitive with conventional density fitting methods.     

改性硫氧镁胶凝材料的配制及性能研究

为确定工业级轻烧氧化镁粉与七水硫酸镁溶液配制改性硫氧镁胶凝材料的最优参数,分别研究了不同氧化镁/七水硫酸镁摩尔比,硫酸镁溶液浓度及水稳剂水玻璃对硫氧镁胶凝材料工作和力学性能的影响.结果表明:随着氧化镁/硫酸镁摩尔比的提高,硫氧镁水泥的初凝时间逐渐缩短,流动性逐渐降低,抗压和抗折强度逐渐提高;随着七水硫酸镁浓度的提高,硫氧镁水泥的抗压抗折强度也呈现增长趋势,MgO:MgSO4·7H2O:H2O摩尔比为14:1:12时,硫氧镁胶凝材浆体的28d抗压和抗折强度分别达到38.3MPa和7.0MPa.耐水性研究表明,加入氧化镁质量2%的水玻璃可以很好地改善硫氧镁水泥的耐水性.     

Mosco approximation of integrands and integral functionals

It is shown that, given a lower semicontinuous convex integrandf satisfying a suitable integrability condition, there exists a sequence of Lipschitz simple integrands which Mosco converges tof and such that the sequence of conjugate integrands Mosco converges tof ^*. Moreover, this sequence can be chosen so that the sequence of associated integral functionals, respectively defined onL ¹(X) andL (X ^*), Mosco converges as well.We wish to thank Professor Erik J. Balder for interesting remarks on the first version of this work.     

Die Kristallstruktur von AgCu3Cu(AsO4)3 und ihre strukturellen Beziehungen zu AgCo3H2(AsO4)3 bzw. AgZn3H2(AsO4)3

Crystal Structure of AgCu₃Cu(AsO₄)₃ and its Structural Relations to AgCo₃H₂(AsO₄)₃ and AgZn₃H₂ (AsO₄)₃ The compound AgCu₃Cu(AsO₄)₃ was synthesized and investigated by X-rays. It crystallizes in the monoclinic space group C2/c with a = 1 212.7(2), b = 1 249.0(2), c = 727.8(1) pm, β = 117.94(1)°, Z = 4. The structure is closely related to the structures of AgCo₃H₂(AsO₄)₃ and AgZn₃H₂(AsO₄)₃. Only two hydrogen atoms are replaced by an additional copper atom forming a copper coordination square instead of two hydrogen bridges. The remaining copper atoms are sixfold coordinated with the generally observed Jahn-Teller distortion. Whereas in AgCo₃H₂(AsO₄)₃ and AgZn₃H₂(AsO₄)₃ silver has a (4+4) coordination, it is in this compound distinctly eightfold coordinated.     

笃斯茎中六种无机元素含量分析

应用原子吸收光谱法测定了内蒙古地产的笃斯茎、叶中的Cu,Fe,Zn,Mn,Ca,Mg等六种人体必需微量元素及宏量元素的含量。从而为评价笃斯的品质及其药理、药效提供了具有一定价值的数据。