Synthesis,physico-chemical characterization and thermal behavior of new complexes with N4O2 donor set

Three new coordinative compounds of the type [Co(en)₂CO₃]·0.75H₂O (1) and [M(en)₂(H₂O)₂]CO₃ ((2) M:Ni, (3) M:Cu; en: ethylenediamine) were synthesized and characterized. The IR and UV–Vis spectral data indicate that ethylenediamine acts as chelate, while carbonate ions act as bidentate chelate ligand for (1)/counter ion for (2) and (3) generating complexes with octahedral stereochemistry. The thermal behavior provided confirmation of the complexes composition, as well as the number and the nature of water molecules and the intervals of thermal stability. The biological assays revealed a good activity against Enterococcus faecium for copper complex.     

Toward a rational design of poly(2,7-carbazole) derivatives for solar cells

On the basis of theoretical models and calculations, several alternating polymeric structures have been investigated to develop optimized poly(2,7-carbazole) derivatives for solar cell applications. Selected low band gap alternating copolymers have been obtained via a Suzuki coupling reaction. A good correlation between DFT theoretical calculations performed on model compounds and the experimental HOMO, LUMO, and band gap energies of the corresponding polymers has been obtained. This study reveals that the alternating copolymer HOMO energy level is mainly fixed by the carbazole moiety, whereas the LUMO energy level is mainly related to the nature of the electron-withdrawing comonomer. However, solar cell performances are not solely driven by the energy levels of the materials. Clearly, the molecular weight and the overall organization of the polymers are other important key parameters to consider when developing new polymers for solar cells. Preliminary measurements have revealed hole mobilities of about 1 x 10(-3) cm2 x V(-1) x s(-1) and a power conversion efficiency (PCE) up to 3.6%. Further improvements are anticipated through a rational design of new symmetric low band gap poly(2,7-carbazole) derivatives.     

Cyanido-bridged Fe(III)-Mn(III) heterobimetallic materials built from Mn(III) Schiff base complexes and di- or tri-cyanido Fe(III) precursors

The reaction of [Fe(III)L(CN)(3)](-) (L being bpca = bis(2-pyridylcarbonyl)amidate, pcq = 8-(pyridine-2-carboxamido)quinoline) or [Fe(III)(bpb)(CN)(2)](-) (bpb = 1,2-bis(pyridine-2-carboxamido)benzenate) ferric complexes with Mn(III) salen type complexes afforded seven new bimetallic cyanido-bridged Mn(III)-Fe(III) systems: [Fe(pcq)(CN)(3)Mn(saltmen)(CH(3)OH)]·CH(3)OH (1), [Fe(bpca)(CN)(3)Mn(3-MeO-salen)(OH(2))]·CH(3)OH·H(2)O (2), [Fe(bpca)(CN)(3)Mn(salpen)] (3), [Fe(bpca)(CN)(3)Mn(saltmen)] (4), [Fe(bpca)(CN)(3)Mn(5-Me-saltmen)]·2CHCl(3) (5), [Fe(pcq)(CN)(3)Mn(5-Me-saltmen)]·2CH(3)OH·0.75H(2)O (6), and [Fe(bpb)(CN)(2)Mn(saltmen)]·2CH(3)OH (7) (with saltmen(2-) = N,N'-(1,1,2,2-tetramethylethylene)bis(salicylideneiminato) dianion, salpen(2-) = N,N'-propylenebis(salicylideneiminato) dianion, salen(2-) = N,N'-ethylenebis(salicylideneiminato) dianion). Single crystal X-ray diffraction studies were carried out for all these compounds indicating that compounds 1 and 2 are discrete dinuclear [Fe(III)-CN-Mn(III)] complexes while systems 3-7 are heterometallic chains with {-NC-Fe(III)-CN-Mn(III)} repeating units. These chains are connected through π-π and short contact interactions to form extended supramolecular networks. Investigation of the magnetic properties revealed the occurrence of antiferromagnetic Mn(III)···Fe(III) interactions in 1-4 while ferromagnetic Mn(III)···Fe(III) interactions were detected in 5-7. The nature of these Mn(III)···Fe(III) magnetic interactions mediated by a CN bridge appeared to be dependent on the Schiff base substituent. The packing is also strongly affected by the nature of the substituent and the presence of solvent molecules, resulting in additional antiferromagnetic interdinuclear/interchain interactions. Thus the crystal packing and the supramolecular interactions induce different magnetic properties for these systems. The dinuclear complexes 1 and 2, which possess a paramagnetic S(T) = 3/2 ground state, interact antiferromagnetically in their crystal packing. At high temperature, the complexes 3-7 exhibit a one-dimensional magnetic behavior, but at low temperature their magnetic properties are modulated by the supramolecular arrangement: a three-dimensional antiferromagnetic order with a metamagnetic behavior is observed for 3, 4, and 7, and Single-Chain Magnet properties are detected for 5 and 6.     

Cooperation in dividing the cake

This paper defines models of cooperation among players partitioning a completely divisible good (such as a cake or a piece of land). The novelty of our approach lies in the players’ ability to form coalitions before the actual division of the good with the aim to maximize the average utility of the coalition. A social welfare function which takes into account coalitions drives the division. In addition, we derive a cooperative game which measures the performance of each coalition. This game is compared with the game in which players start cooperating only after the good has been portioned and has been allocated among the players. We show that a modified version of the game played before the division outperforms the game played after the division.     

Lie Symmetries for Hamiltonian Systems Methodological Approach

This paper proposes an algorithm for the Lie symmetries investigation in the case of a 2D Hamiltonian system. General Lie operators are deduced firstly and, in the the next step, the associated Lie invariants are derived. The 2D Yang-Mills mechanical model is chosen as a test model for this method. PACS: 05.45.-a; 02.30.Ik     

Complexes of 3d(n) metal ions with thiosemicarbazones: synthesis and antimicrobial activity

The chelating behavior of the thiosemicarbazone derivatives of 2-hydroxy-8-R-tricyclo[7.3.1.0.(2,7)]tridecane-13-one (where R = H, CH3, C6H5) towards Co(II), Ni(II) and Cu(II) has been investigated by elemental analysis, molar conductivity measurements, UV-VIS, IR, ESR spectroscopy and thermal studies. It was deduced from the experiments performed that the ligands coordinate to metal ions in different ways--neutral bidentate or mononegative bidentate--depending on the nature of R. Also, if metal acetates are used instead of metal chlorides, the ligands coordinate in a mononegative bidentate fashion, regardless of the nature of R or the thiosemicarbazone type ligand. The antimicrobial activity of the ligands and of the complexes towards samples of Acinetobacter boumanii, Klebsiella pneumoniae, Escherichia coli, Staphylococcus aureus and Pseudomonas aeruginosa was determined.     

Finite element approximation

We study a discretization procedure, using finite elements, for a class of non-isotropic free-discontinuity problems based on the non-local approximation proposed in [18]     

Positive solutions for singular systems of multi‐point boundary value problems

We study the existence of positive solutions for systems of singular nonlinear second‐order ordinary differential equations subject to multi‐point boundary conditions. Copyright © 2012 John Wiley & Sons, Ltd.     

On a system of second-order multi-point boundary value problems

We study the existence of positive solutions for a system of nonlinear second-order ordinary differential equations subject to some multi-point boundary conditions. The nonexistence of positive solutions is also investigated.