A Trigonal‐Pyramidal Erbium(III) Single‐Molecule Magnet

Given the recent advent of mononuclear single‐molecule magnets (SMMs), a rational approach based on lanthanides with axially elongated f‐electron charge cloud (prolate) has only recently received attention. We report herein a new SMM, [Li(THF)₄[Er{N(SiMe₃)₂}₃Cl]?2 THF, which exhibits slow relaxation of the magnetization under zero dc field with an effective barrier to the reversal of magnetization (ΔE_eff/k_B=63.3 K) and magnetic hysteresis up to 3 K at a magnetic field sweep rate of 34.6 Oe s^?1. This work questions the theory that oblate or prolate lanthanides must be stabilized with the appropriate ligand framework in order for SMM behavior to be favored.     

Effect of high pressure on the organocatalytic asymmetric Michael reaction: highly enantioselective synthesis of γ-nitroketones with quaternary stereogenic centers

The significant effect of hydrostatic pressure on the difficult organocatalytic 1,4-conjugate addition of nitroalkanes to prochiral sterically congested β,β-disubstituted enones is demonstrated. This approach allows for the synthesis of γ-nitroketones containing quaternary stereogenic centers with good yields, excellent enantioselectivity, and low loading (1-5 mol %) of simple chiral primary amine catalysts.     

Evidence for magnetic anisotropy of [Nb(IV)(CN)8]4- in a pillared-layered Mn2Nb framework showing spin-flop transition

The first example of the [Nb(CN)(8)]-based pillared-layered-type framework system {[Mn(II)(2)(bpdo)(H(2)O)(4)][Nb(IV)(CN)(8)]·6H(2)O}(n) (bpdo = 4,4'-bipyridyl-N,N'-dioxide) has been obtained and characterized structurally and magnetically. The presented results provide the first evidence for substantial magnetic anisotropy of [Nb(IV)(CN)(8)].     

Theory Assessment and Final Theory Claim in String Theory

String theory has by now maintained a highly influential position in high energy physics for more than a quarter of a century. The present article analyses the reasons for the considerable trust exponents of string theory have in their theory even though it has neither found empirical confirmation nor a complete formulation up to this point. It is argued that this trust can be understood in terms of an emerging new conception of theory assessment that relies strongly on the identification of limitations to the underdetermination of scientific theory building. The second part of the paper makes the point that another conspicuous element of string theoretical reasoning, the prominent role of the notion of a final theory, can be understood in terms of this altered notion of theory assessment as well.     

Diffusion and aggregation of adatoms on faceted Pd/Mo(111) surface

Diffusion of Pd adatoms on faceted Pd/Mo(111) surface with hill and valley structure is studied by kinetic Monte Carlo method. The surface consists of {211} channeled facets separated by concave and convex edges. It is shown that diffusion on the faceted surface is significantly reduced with comparison to diffusion on (112) surface by the presence of concave edges. A simple formula for the diffusion coefficient is proposed. The growth of linear structures, studied at low coverage θ = 0.1, depends on the cross-channel diffusion, although the cross-channel diffusion coefficient is by 6–8 orders of magnitude smaller than the in-channel diffusion coefficient. We observed that most of atomic structures grow in valleys and the average size of the structure increases with increase of facet size.     

High-pressure accelerated asymmetric organocatalytic Friedel-Crafts alkylation of indoles with enones: application to quaternary stereogenic centers construction

An organocatalytic Friedel-Crafts alkylation of indoles with α,β-unsaturated ketones was found to be efficiently accelerated under high-pressure conditions with a low loading of chiral primary amine salts with good yield and enantioselectivity up to 90%. This approach also allows, for the first time, selected indole derivatives containing quaternary stereogenic centers to be obtained from prochiral β,β-disubstituted enones with an enantioselectivity up to 80%.     

1,2,5-Thiadiazole 1,1-dioxides and Their Radical Anions: Structure,Properties, Reactivity,and Potential Use in the Construction of Functional Molecular Materials

This work provides a summary of the preparation, structure, reactivity, physicochemical properties, and main uses of 1,2,5-thiadiazole 1,1-dioxides in chemistry and material sciences. An overview of all currently known structures containing the 1,2,5-thiadiazole 1,1-dioxide motif (including the anions radical species) is provided according to the Cambridge Structural Database search. The analysis of the bond lengths typical for neutral and anion radical species is performed, providing a useful tool for unambiguous assessment of the valence state of the dioxothiadiazole-based compounds based solely on the structural data. Theoretical methodologies used in the literature to describe the dioxothiadiazoles are also shortly discussed, together with the typical ‘fingerprint’ of the dioxothiadiazole ring reported by means of various spectroscopic techniques (NMR, IR, UV-Vis). The second part describes the synthetic strategies leading to 1,2,5-thiadiazole 1,1-dioxides followed by the discussion of their electrochemistry and reactivity including mainly the chemical methods for the successful reduction of dioxothiadiazoles to their anion radical forms and the ability to form coordination compounds. Finally, the magnetic properties of dioxothiadiazole radical anions and the metal complexes involving dioxothiadiazoles as ligands are discussed, including simple alkali metal salts and d-block coordination compounds. The last section is a prospect of other uses of dioxothiadiazole-containing molecules reported in the literature followed by the perspectives and possible future research directions involving these compounds.     

Supersymmetry quantum mechanics and the asymptotic iteration method

A relation between the supersymmetry approach and the asymptotic iteration method is presented. A new form of the wave function is introduced. This approach has been successively employed to solve the Schr?dinger equation for the Kratzer and Morse oscillators. The exact energy levels and the corresponding eigenfunctions have been calculated.     

Vibrations of spatially suspended flexible pipe-beam with moving fluid

The nonlinear dynamic model of flexible pipe–beam suspended by spatial system of cables is proposed for vibration analysis of pipeline suspension bridges. The model, based on substructure technique, is considered as an assemblage of the following substructures: cables, hangers and pipe–beam. Equation of motion of pipe–beam is derived by Galerkin's FEM with the original finite element formulated in order to include moving mass of transported fluid. To describe cable vibrations, general continuum approach proposed in Ref.[1] is adopted with application into 3D model. Cable model takes into account initial sag, pre–tension force, large displacements and hangers' point reactions. Equation governing the motion of pipe–beam with cables and hangers is obtained regarding equilibrium conditions of interaction forces and compatibility of displacements at connection points between substructures. (© 2008 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim)