Stereoselectivity in the intermolecular Pauson-Khand reaction of electron-deficient terminal alkynes

A family of terminal alkyne dicobalthexacarbonyl complexes bearing groups with a range of electron-withdrawing abilities has been synthesized. After submitting these complexes to the intermolecular Pauson-Khand reaction with norbornadiene, electron-deficient substrates afforded up to 26% of the unexpected endo-cyclopentenone.     

Sn/Ge(1 1 1) α-phase: characterization of image resonances by specular electron reflection and selective electron scattering

Image potential resonances on the Sn/Ge(1 1 1) α-phase are investigated by two closely related methods: specular electron reflection and so-called selective electron scattering. Electrons from image resonances are detected on this surface at 120 and 300 K, i.e. below and above the phase transition at about 200 K. The dispersion of the image resonances reveals at these two temperatures equivalent effective electron masses, which are characteristic for this type of electronic surface states. The results of the two methods are consistent according to the similarity of the scattering processes. Changes in the loss peak intensity with the annealing temperature are assigned to the surface quality and are reflected by characteristic photoemission intensities.     

Orientational Ordering of the Near-Surface Layers of Nitrobenzene

Two types of absorption centers, one being related to monomers and the other to dimers, have been revealed by the method of statistical analysis of the normalized absorption spectra of a superthin interlayer of nitrobenzene of variable thickness formed on activated surfaces of quartz and barium fluoride and measured for different thicknesses of the interlayer. On a decrease in the interlayer thickness the concentration of dimers increases.     

Theoretical investigation of Mössbauer hyperfine interactions in ordered FeNi and disordered Fe–Ni alloys

Electronic structure spin-polarized calculations were performed for 79-atoms embedded clusters representing the ordered intermetallic compound FeNi, the fcc Fe-rich disordered alloy Fe₈₅Ni₁₅ in an antiferromagnetic (AFM) configuration, and the ferromagnetic (FM) disordered alloy Fe₅₀Ni₅₀. The spin-polarized discrete variational method (DVM) in Density Functional theory was employed. Spin magnetic moments, as well as the ⁵⁷Fe Mössbauer hyperfine parameters isomer shift and magnetic hyperfine fields, were obtained from the calculations. For FM Fe₅₀Ni₅₀, the effect of pressure on the hyperfine field and on the isomer shift was investigated, for three different local atomic configurations surrounding the ⁵⁷Fe probe atom. In the case of the isomer shift, the calculated values were compared to reported experimental data.     

超大规模集成电路波导光互连技术的现状与前景

介绍超大规模集成电路(VLSI)波导(?)互连技术的最新进展,并预测其发展方向,以及如阿解决存在的实际问题。     

Nitroxyl free radical binding to Si(1 0 0): a combined scanning tunneling microscopy and computational modeling study

The ultra-high vacuum scanning tunneling microscope (UHV-STM) was used to investigate the addition of the 2,2,6,6-tetramethyl-1-piperidinyloxy (TEMPO) radical to the Si(1 0 0) surface. Room temperature studies performed on clean Si(1 0 0)-2 × 1 confirm the proposed binding of the unpaired valence electron associated with the singly occupied molecular orbital (SOMO) of the molecule with a Si dangling bond. A strong bias dependence in the topography of isolated molecules was observed in the range of −2.0 to +2.5 V. Semiempirical and density functional calculations of TEMPO bound to a three-dimer silicon cluster model yield occupied state density isosurfaces below the highest occupied (HOMO) and unoccupied state densities isosurfaces above the lowest unoccupied molecular orbital (LUMO) which trend in qualitative agreement with the bias dependent STM topography. Furthermore, the placement of TEMPO molecules on dangling bonds was controlled with atomic precision on the monohydride Si(1 0 0) surface via electron stimulated desorption of H, demonstrating the compatibility of nitroxyl free radical binding chemistries with nanopatterning techniques such as feedback controlled lithography.     

Mn-site doping induced CMR properties in calcium rich manganites Pr1‒xCaxMnO3(0.6 ≤ x ≤ 0.7)

Doping of Mn-site by chromium, cobalt and nickel has been investigated in the calcium rich manganites and . Whatever the nature of the doping element, a rapid disappearance of the charge ordered (CO) state is observed, decreasing as the doping rate increases. But the most important result concerns the Cr-doped compounds for which a re-entrant insulator to metal transition at 90-120 K is observed for x =0.10-0.12, in a zero magnetic field. The possibility to induce colossal magnetoresistance (CMR) properties for high (IV) contents ((IV)/) for x =0.07-0.12 is shown for the first time, the resistance ratios reaching at 30 K. This study also shows differently that the small size of the A-site cation (Pr, Ca) is not a redhibitory obstacle to the appearance of CMR properties in manganites, in contrast with previously established phase diagrams. Received: 18 June 1997 / Revised: 4 August 1997 / Accepted: 10 November 1997     

Colossal magnetoresistance manganites: A new approach

Manganites of the LA_1−x Ca _x MnO₃ family show a variety of new and poorly understood electronic, magnetic and structural effects. Here we outline a new approach recently proposed by us, where we argue that due to strong Jahn-Teller (JT) coupling with phonons the twofold degeneratee _g states at the Mn sites dynamically reorganize themselves into localised, JT polaronsl with exponentially small inter-site hopping, and band-like, nonpolaronic statesb, leading to anew 2-band model for manganites which includes strong Coulomb and Hund’s couplings. We also discuss some results from a dynamical mean-field theory treatment of the model which explains quantitatively a wide variety of experimental results, including insulator-metal transitions and CMR, in terms of the influence of physical conditions on the relative energies and occupation of thel andb states. We argue that this microscopic coexistence of the two types of electronic states, and their relative occupation and spatial correlation is the key to manganite physics. Dedicated to Professor C N R Rao on his 70th birthday     

直线加速器驻波腔中的瞬态束流负载效应

在高能加速器中, 随着单个束团和束团串中电荷量的提高, 当粒子束穿过加速腔的时候, 感应出的瞬态束流负载电压也越来越高. 但是, 在通常分析束流负载的时候, 往往对稳态束流负载研究的比较多, 而对瞬态束流负载的研究要相对少一些. 本文首先对束流负载的瞬态特性和束团穿过加速腔时高频源所看到谐振腔谐振频率的变化方式进行了分析, 然后又对两种情况下谐振腔的最优失谐条件进行了讨论, 并给出了相应的解析公式. 在第1种情况下, 当粒子束穿过加速腔的时候, 谐振腔的自然谐振频率能够及时地得到调节, 从而使高频源的电流与谐振腔的腔压同相, 以提高高频源的效率; 在第2种情况下, 当粒子束穿过加速腔的时候, 谐振腔的自然谐振频率保持不变, 不能被调节. 最后, 还对BEPCⅡ现有预注入器的预聚束腔、BEPCⅡ未来预注入器的两个次谐波聚束腔中的瞬态束流负载效应进行了分析.