Untersuchung monomolekularer Filme von Korksäuren

Zusammenfassung Mit der Methode der monomolekularen Oberflächenfilme werden an den Korksäuren: Felonsäure, Felogensäure, Floionsäure und Floionolsäure im Bereich kleiner Oberflächendrucke die Molekulargewichte dieser Säuren bestimmt.     

A proximal method with logarithmic barrier for nonlinear complementarity problems

We study the proximal method with the regularized logarithmic barrier, originally stated by Attouch and Teboulle for positively constrained optimization problems, in the more general context of nonlinear complementarity problems with monotone operators. We consider two sequences generated by the method. We prove that one of them, called the ergodic sequence, is globally convergent to the solution set of the problem, assuming just monotonicity of the operator and existence of solutions; for convergence of the other one, called the proximal sequence, we demand some stronger property, like paramonotonicity of the operator or the so called “cut property” of the problem.     

Coexistence in exotic scenarios of a modified Abrams–Strogatz model

We work on a model that has succeeded in describing real cases of coexistence of two languages within a closed community of speakers, taking into account bilingualism and incorporating a parameter to measure the distance between languages. The dynamics of this model depend on a characteristic exponent, which weighs the power of the size of a group of speakers to attract new members. So far, this model had been solved only when this characteristic exponent is greater than 1. In this article, we have managed to solve the nature of the stability of all the possible situations for this characteristic exponent, that is, when it is less or equal than 1 and covering also the situations produced when it is 0 or negative. We interpret these new situations and find that, even in such exotic scenarios, there are configurations of the resulting societies where all the languages coexist. © 2014 Wiley Periodicals, Inc. Complexity 21: 86–93, 2016     

Building layer-by-layer a bis(dithiocarbamato)copper(II) complex on Au[111] surfaces

A bis(dithiocarbamato)copper(II) complex (CuDTC2) was built on Au{111} surfaces (sheets and electrode beads) using different building blocks in a layer-by-layer (LbL) procedure. The process was followed by AFM and cyclic voltammetry. Initially 4-piperidinemethanethiol, which was synthesized here for the first time, was self-assembled on a gold surface and a highly organized array was obtained. The resulting monolayer was treated with CS2 and NH3 to transform the NH groups of piperidine into dithiocarbamate groups (DTC) with the formation of an amphiphilic ligand (DTCpipS) with thiolate and DTC terminal anionic groups. Two reductive desorption peaks were observed in the cyclic voltammogram of self-assembled DTCpipS, a more intense peak at -0.87 V (thiolate group) and a broader, less intense peak at -0.68 V, corresponding to the desorption of the DTC group bound to the gold surface after the ligand made a approximately 180 degrees flip on the surface. Copper(II) and the morpholyldithiocarbamate anion were associated with self-assembled DTCpipS in order to complete the formation of the CuDTC2 complex on the gold surface. In the voltammogram of the LbL self-assembled CuDTC2 complex the reductive desorption peak at -0.68 V disappeared and one single peak was observed at -0.85 V. This corresponds to the reorientation of all of the DTCpipS dianions in order to coordinate to copper(II) through the DTC groups, leaving the self-assembly only through the thiolate groups. The complete formation of the LbL self-assembled CuDTC2 complex was confirmed by XPS and ToF SIMS, with a detected fragment corresponding to the whole complex.     

Revisiting the calculation of condensed Fukui functions using the quantum theory of atoms in molecules

The analysis of previously reported shortcomings of the condensed Fukui functions obtained making use of the quantum theory of atoms in molecules indicates these drawbacks are due to the inadequacy of the definition employed to compute them and not to the partitioning. A new procedure, which respects the mathematical definition and solves these problems, is presented for the calculation of condensed Fukui functions for atomic basins defined according to the quantum theory of atoms in molecules. It is tested in a set of 18 molecules, which includes the most controversial reported cases.     

A solution for the local plane strain problems using elliptic integrals of Cauchy type

We consider a parallel fiber‐reinforced periodic elastic composite that present an imperfect contact of spring type between the fiber and the matrix. We use the elliptic integral of Cauchy type for solving the plane strain local problems that arise from the asymptotic homogenization method. Several general conditions are assumed, which include that the fibers are disposed of arbitrary manner in the local cell, that all fibers present contact perfect with different constants of imperfection, and that their cross section is a smooth closed arbitrary curve. We find that there are infinity solutions for these problems, and we find relations between these solutions and effective coefficients of the composite. Finally, we obtain analytic formulae for the circular fiber case and show some numerical examples. Copyright © 2016 John Wiley & Sons, Ltd.     

Anomalous Light-Induced Spin-State Switching for Iron(II) Spin-Crossover Molecules in Direct Contact with Metal Surfaces

Light-induced spin-state switching is one of the most attractive properties of spin-crossover materials. In bulk, low-spin (LS) to high-spin (HS) conversion via the light-induced excited spin-state trapping (LIESST) effect may be achieved with a visible light, while the HS-to-LS one (reverse-LIESST) requires an excitation in the near-infrared range. Now, it is shown that those phenomena are strongly modified at the interface with a metal. Indeed, an anomalous spin conversion is presented from HS state to LS state under blue light illumination for Fe^II spin-crossover molecules that are in direct contact with metallic (111) single-crystal surfaces (copper, silver, and gold). To interpret this anomalous spin-state switching, a new mechanism is proposed for the spin conversion based on the light absorption by the substrate that can generate low energy valence photoelectrons promoting molecular vibrational excitations and subsequent spin-state switching at the molecule–metal interface.     

Semistable and numerically effective principal (Higgs) bundles

We study Miyaoka-type semistability criteria for principal Higgs G-bundles E on complex projective manifolds of any dimension. We prove that E has the property of being semistable after pullback to any projective curve if and only if certain line bundles, obtained from some characters of the parabolic subgroups of G, are numerically effective. One also proves that these conditions are met for semistable principal Higgs bundles whose adjoint bundle has vanishing second Chern class.In a second part of the paper, we introduce notions of numerical effectiveness and numerical flatness for principal (Higgs) bundles, discussing their main properties. For (non-Higgs) principal bundles, we show that a numerically flat principal bundle admits a reduction to a Levi factor which has a flat Hermitian–Yang–Mills connection, and, as a consequence, that the cohomology ring of a numerically flat principal bundle with coefficients in R is trivial. To our knowledge this notion of numerical effectiveness is new even in the case of (non-Higgs) principal bundles.     

Electropolymerization of naphthaleneamidinemonoimide-modified poly(thiophene)

The new polymer presents a p-doping process with anion exchange and its electrochemical reduction with cation exchange during potential cycling. Stored specific charges of 38 mAh g(-1) for the polymer reduction and 13 mAh g(-1) for its oxidation make the material very promising for fast charge/discharge batteries or specialised supercapacitors in which the material is also required as the anode.