Constituents of the quasiparticle spectrum along the nodal direction of high-Tc cuprates

Applying the Kramers-Kronig consistent procedure, developed earlier, we investigate in detail the formation of the quasiparticle spectrum along the nodal direction of high-Tc cuprates. The heavily discussed "70 meV kink" on the renormalized dispersion exhibits a strong temperature and doping dependence when purified from structural effects such as bilayer splitting, diffraction replicas, etc. This dependence is well understood in terms of fermionic and bosonic constituents of the self-energy. The latter follows the evolution of the spin-fluctuation spectrum, emerging below some doping dependent temperature and sharpening below Tc, and is mainly responsible for the formation of the kink in question.     

Ab initio cluster calculations on the electronic structure of oxygen vacancies at the polar ZnO(0001) surface and on the adsorption of H2, CO, and CO2 at these sites

Oxygen vacancies at the polar O terminated (0001) surface of ZnO are of particular interest, because they are discussed as active sites in the methanol synthesis. In general, the polar ZnO surfaces are stabilized by OH groups, therefore O vacancies can be generated by removing either O atoms or OH or H2O groups from the surface. These defects differ in the number of electrons in the vacancy and the number of OH groups in the neighborhood. In the present study, the electronic structure and the adsorption properties of four different types of oxygen vacancies have been investigated by means of embedded cluster calculations. We performed ab initio calculations on F+ like surface excitations for the different defect types and found that the transition energies are above the optical band-gap, while F+ centers in bulk ZnO show a characteristic optical excitation at 3.19 eV. Furthermore, we studied the adsorption of CO2 and CO at the different defect sites by DFT calculations. We found that CO2 dissociates at electron rich vacancies into CO and an O atom which remains in the vacancy. At the OH vacancy which contains an unpaired electron CO2 adsorbed in the form of CO2-, while it adsorbed as a linear neutral molecule at the H2O defect. CO adsorbed preferentially at the H2O defect and the OH defect, both with a binding energy of 0.3 eV.     

Selective substituent transfer from mixed zinc reagents in Ni-catalyzed anhydride alkylation

The use of mixed zinc reagents in Ni-catalyzed anhydride alkylation results in preferential transfer of substituents (Ph > Me > Et > iPr approximately TMSCH2) for the ligands bipy, dppe, and iPrPHOX. Utilization of such mixed species allows the use of 0.55 equiv of the diorganozinc reagent, effectively transferring both desired substituents when used in conjunction with a suitable second zinc reagent.     

Dicoordinate copper(I) silanechalcogenolates

The copper silanechalcogenolates tBu3PCuESiPh3 (1, E = O; 2, E = S; 3, E = Se) were prepared from the reaction of [tBu3PCu(CH3CN)3]BF4 with [Ph3SiELi(THF)2]2 in acetonitrile. The compounds were obtained as colorless, crystalline, but thermally labile solids. X-ray crystallography shows that complexes 1-3 are monomeric in the solid state with no Cu...Cu interactions. The Cu atoms have either a linear or a near-linear coordination geometry in all three complexes. Interestingly, the O atom in complex 1 is also linear, which is in contrast to the highly bent S (2) and Se analogues (3). Density functional theory calculations suggest that both the linear geometry of 1 and an associated extremely short Cu-O distance [1.769(4) A] are not the result of pi delocalization but are the result of a fine balance of electrostatic interaction and Pauli repulsion.     

Synthesis of stereoisomers of <Emphasis Type="Italic">p-tert</Emphasis>-butylthiacalix[4]arenes tetrasubstituted at the lower rim containing secondary amide groups and their complexation with a number of singly charged anions

The ability of new synthetic receptors, i.e., p-tert-butylthiacalix[4]arenes tetrasubstituted at the lower rim and containing secondary amide groups to form complexes with a number of spherical (F⁻, Cl⁻, Br⁻, I⁻), Y-shaped (MeCOO⁻), trigonal (NO₃ ⁻), and tetrahedral (H₂POO₄ ⁻) anions has been studied. It was shown that the nature of substituents on the nitrogen atom of the amide groups and configuration of the macrocycle affect the stability constant values of the forming complexes.     

Hard versus Soft Materials as Supports for Metallocene and Post‐Metallocene Catalysts

The influence of organic supports on the polymerization behavior of post‐metallocene catalysts is studied and compared with similarly supported titanium and zirconium metallocenes. The effects of the immobilization, activation, and polymerization process were studied by video microscopy, laser confocal fluorescence microscopy, SEM, and TEM. A model for the polymerization process for a catalyst supported on latex particles was developed from the results obtained. Organic supports based on latex particles are easily adjustable for different catalysts due to the versatile functionalization of the surfaces and can be applied to different types of olefin polymerization catalysts. They can be considered as an alternative to SiO₂ or MgCl₂ supports.

     

High-sensitivity, high-frequency extrinsic Fabry-Perot interferometric fiber-tip sensor based on a thin silver diaphragm

We propose and demonstrate a fiber-tip sensor based on an ultra-thin silver diaphragm for highly sensitive and high frequency ultrasonic detection. The diaphragm is prepared by the vacuum thermal deposition method and then transferred to the fiber tip. The sensor demonstrated in this letter has a 300 nm thick diaphragm with an inner diameter of 75 μm, leading to a static pressure sensitivity of 1.6 nm/kPa and a resonant frequency of 1.44 MHz. This sensor has potential applications in many fields such as structural health monitoring and medical ultrasonography.     

Arsenvergiftungen

The development of legal verification from torture via post mortem examination to chemical and radiochemical detection methods is shown by means of some spectacular cases of arsenic poisoning from the 17^th to the 20^th century. Because of the omnipresence of arsenic, it was not always possible to resolve all doubts.