Synthesis and crystal structure of bis(di-n-butyldithiocarbamato)(1,10-phenanthroline)cadmium(II)

A new mixed-ligand complex, Cd(S₂CN(C₄H₉)₂)₂Phen, is synthesized and investigated by thermal, element, and IR analyses and by diffractometry of polycrystals (DRON-3M, CuK_α radiation, Ni filter). The crystal structure was determined on a CAD-4 Enraf-Nonius automatic diffractometer (MoK_α radiation, θ from 1.5 to 25?, 2325 nonzero independent reflections, 190 refined parameters, R = 0.036 for I > 2Σ(I)). Crystal data for C₃₀H₄₄CdN₄S₄ : a = 15.592(3), b = 22.724(5), c = 9.922(2) å, space group Pbcn, V = 3515.5(12) å₃, Z = 4, M = 701.33, d_calc = 1.325 g/cm³. The structure involves monomeric molecules in which the cadmium atom has a distorted octahedral environment.     

Threshold electrical switching in As45Te55-xInx and As50Te50-xInx glasses

The electrical switching behaviour of As₄₅Te_55-xIn_x (5≤x≤15) and As₅₀Te_50-xIn_x (2.5≤x≤11.5) has been studied over a wide range of compositions. These glasses are found to exhibit threshold switching. The composition dependence of switching voltage (V_t) has been found to exhibit a change in slope and a local minimum at compositions x=10 and 12.5 for As₄₅Te_55-xIn_x and x=7.5 and 10.8 for As₅₀Te_50-xIn_x, respectively. The slope change in V_t verses x and the local minimum have been identified using two network topological effects, namely the rigidity percolation threshold and the chemical threshold. Received: 23 August 2001 / Accepted: 27 August 2001 / Published online: 11 February 2002     

NMR AND DFT STUDY OF Co-C BOND ACTIVATION MECHANISM IN VITAMIN B_(12) COMPOUNDS

This report focuses on a theoretical study of the cobalt-cabon bond activation mechanism in Vitamin B12, its co enzyme complexes, and model compounds such as cobalamins (Cbl), cobaloximes and cobalt porphyrins. In particular, emphasis is placed on the nucleotide loop and its role in the base on and base off mechanism.     

Adhesion measurement of thin films by a modified laser spallation technique: theoretical analysis and experimental investigation

Laser driven shocks can lead to a dynamic failure, called film spallation. Here, we use a modified laser spallation set-up to measure the dynamic adhesion of thin films and we propose a novel diagnostic technology. Based on correlation theory, new spallation criteria for characterizing the progressive damage at the interface between the film and the substrate are established, such as interface delamination, film spallation and film expulsion. With the help of the theory, the degree of damage and the dimension of damage (i.e. fracture), such as the minimum width of delamination radius, the thickness of the film etc., are estimated. Experiments are carried out on epoxy/stainless steel and epoxy/Al, and the experimental results show that their dynamic bonding strengths are about 25 MPa and 20 MPa, respectively. The detailed results, analyses and discussions are presented in this paper. Received: 6 February 2001 / Accepted: 3 December 2001 / Published online: 11 February 2002     

CP violation and extra dimensions

It is shown that new sources of CP violation can be generated in models with more than one extra dimension. In the supersymmetric models on the space-time , where the radius moduli have auxiliary vacuum expectation values and the supersymmetry breaking is mediated by the Kaluza–Klein states of the gauge supermultiplets, we analyze the gaugino masses and trilinear couplings for two scenarios and obtain the result that there exist relative CP violating phases among the gaugino masses and trilinear couplings. Received: 10 October 2001 / Published online: 20 December 2001     

Excitation and ionization of sodium clusters by a strong electromagnetic field

This paper reports on a study of the excitation and ionization of small sodium clusters by femtosecond light pulses with a maximum intensity of 5×10¹²–1×10¹⁴ W/cm² and photon energy from 1 to 3 eV made in terms of the density functional theory and jellium model through direct numerical solution of the Kohn-Sham time-dependent equation. The dependence of the degree of ionization on the intensity, duration, and frequency of the light pulses, as well as on the cluster size, is studied. The efficiency of the processes is shown to be determined primarily by the field intensity rather than by the total pulse energy.     

Metrics of Homogeneous Spaces Admitting (3.1)-Type Complete Sets

A classification has been obtained for spaces which admit complete sets of motion integrals of the (3.1)-type and are spatially homogeneous. The metrics and Killing vectors have been found in explicit form for all types of these spaces. A classification by Bianchi is given for the spaces obtained.     

Barrier-free intermolecular proton transfer in the uracil-glycine complex induced by excess electron attachment

The photoelectron spectra (PES) of anions of uracil-glycine and uracil-phenylalanine complexes reveal broad features with maxima at 1.8 and 2.0 eV. The results of ab initio density functional B3LYP and second order M?ller-Plesset theory calculations indicate that the excess electron occupies a π^* orbital localized on uracil. The excess electron attachment to the complex can induce a barrier-free proton transfer (BFPT) from the carboxylic group of glycine to the O8 atom of uracil. As a result, the four most stable structures of the anion of uracil-glycine complex can be characterized as the neutral radical of hydrogenated uracil solvated by the anion of deprotonated glycine. The similarity between the PES spectra for the uracil complexes with glycine and phenylalanine suggests that the BFPT is also operative in the case of the latter anionic species. The BFPT to the O8 atom of uracil may be related to the damage of nucleic acid bases by low energy electrons because the O8 atom is involved in a hydrogen bond with adenine in the standard Watson-Crick pairing scheme. Received 6 April 2002 Published online 13 September 2002     

Propagation of mesons in asymmetric nuclear matter in a density-dependent coupling model

We study the propagation of the light mesons σ,ω,ρ, and a₀(980) in dense hadronic matter in an extended derivative scalar coupling model. Within the scheme proposed it is possible to unambiguously define effective density-dependent couplings at the Lagrangian level. We first apply the model to study asymmetric nuclear matter with fixed isospin asymmetry, and then we pay particular attention to hypermatter in β-equilibrium. The equation of state and the potential contribution to the symmetry coefficient arising from the mean-field approximation are investigated. Received: 16 October 2001 / Accepted: 10 January 2002