Potassium Fluoride on Alumina: A Convenient Synthesis of O-Alkyl Methyldithiocarbonates. Pyrolysis of O-Benzyl-S-Methyldithiocarbonates

Xanthates were easily prepared by adsorption of alcohol on KF-Al₂O₃ followed by treatment of carbon disulfide and iodomethane at room temperature. Pyrolysis of benzyl xanthate affords to a complex mixture of products. A radical process was proposed to explain the nature of products obtained.     

Solvent-Free Condensation of Methyl Pyridinium and Quinolinium Salts with Aldehydes Catalyzed by DBU

Methylpyridinium and methylquinolinium salts were condensed under solvent-free conditions with aromatic aldehydes in the presence of 1,8-diazabicyclo[5.4.]undec-7-ene (DBU) as catalyst, by grinding at room temperature. The products are dyes or useful intermediates. The DBU can be easily recycled and reused.     

Instrumental Dependent Dissociations of n-Propyl/Isopropyl Phosphonate Isomers: Evaluation of Resonant and Non-Resonant Vibrational Activations

Structural elucidation and distinction of isomeric neurotoxic agents remain a challenge. Tandem mass spectrometry can be used for this purpose in particular if a “diagnostic” product ion is observed. Different vibrational activation methods were investigated to enhance formation of diagnostic ions through consecutive processes from O,O-dialkyl alkylphosphonates. Resonant and non-resonant collisional activation and infrared multiphoton dissociation (IRMPD) were used with different mass spectrometers: a hybrid quadrupole Fourier transform ion cyclotron resonance (Qh-FTICR) and a hybrid linear ion trap-Orbitrap (LTQ/Orbitrap). Double resonance (DR) experiments, in ion cyclotron resonance (ICR) cell, were used for unambiguous determination of direct intermediate yielding diagnostic ions. From protonated n-propyl and isopropyl O-O-dialkyl-phosphonates, a diagnostic m/z 83 ion characterizes the isopropyl isomer. This ion is produced through consecutive dissociation processes. Conditions to favor its formation and observation using different activation methods were investigated. It was shown that with the LTQ, consecutive experimental steps of isolation/activation with modified trapping conditions limiting the low mass cut off (LMCO) effect were required, whereas with FT-ICR by CID and IRMPD the diagnostic ion detection was provided only by one activation step. Among the different investigated activation methods it was shown that by using low-pressure conditions or using non-resonant methods, efficient and fast differentiation of isomeric neurotoxic agents was obtained. This work constitutes a unique comparison of different activation modes for distinction of isomers showing the instrumental dependence characteristic of the consecutive processes. New insights in the dissociation pathways were obtained based on double-resonance IRMPD experiments using a FT-ICR instrument with limitation at low mass values.

Competing phases in the high field phase diagram of (TMTSF)(2)ClO(4)

A model is presented for the high field phase diagram of (TMTSF)(2)ClO(4), taking into account the anion ordering, which splits the Fermi surface into two bands. For strong enough field, the largest metal spin density wave critical temperature corresponds to the N=0 phase, which originates from two intraband nesting processes. At lower temperature, the competition between these processes puts at disadvantage the N=0 phase vs the N=1 phase, which is due to interband nesting. A first order transition then takes place from the N=0 to N=1 phase. We ascribe to this effect the experimentally observed phase diagrams.     

The effects of geometrical parameters on carrier states and optical transitions in a quantum ring

Using a numerical method via the electron effective mass theory, a model of a quantum ring (QR) with a shape very close to the real one and taken from an experimental work, we investigate the electron states in a semi-conductor QR, studying the influence of the ring’s geometrical parameters on the electron spectrum and on the optical transitions. Our hetero structure evolves from a single quantum dot (QD) to a QR. We find that the one-electron ground state presents an absolute minimum when studied as a function of the ring radius. The reliability of the calculations is checked with experimental data.     

Characterization of the Landau expansion equation for SrTiO3 under pressure

This work focuses on the characterization of the expansion of Landau's main equation for Pm3?m structures, which are transformed with symmetry subgroups, associated with M+3 and R+4 special points of the Brillouin zone, under hydrostatic pressure. This solution has been adapted to include the general influence of hydrostatic pressure and the evolution of the order parameter. We present a simple scheme in order to search systematically the ground state of all perovskite structures derivable from octahedral rotations under high pressure. We have applied this adaptation to SrTiO₃ perovskite. Results of the characterization of Landau′s equation for the cubic-tetragonal phase transition under pressure are discussed here.     

Life Prediction of FRP Composites by a Direct Method

A direct computational approach for lifetime prediction of fibre-reinforced polymer (FRP) composites is presented. The approach is based on a direct method which allows predicting the fatigue life from the stabilised damage state. The classical direct method is generalised to the case of coupled plasticity with damage mechanics of the UD-FRP composite materials [1]. The constitutive model is based on a continuous damage meso-scale approach [2]. By analysing damage variables and thermodynamical forces associated with damage at the stabilised state, fatigue life prediction law is proposed as a power law function of stabilised thermodynamic forces. The obtained numerical results have been validated by experimental test results on standard glass-fibre/epoxy angle-ply and cross-ply laminate plates. The proposed approach could serve as a useful tool for the design of FRP composites. (© 2014 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim)     

A quantum formulation of the relaxation process and transport coefficients of magnetized plasma

From a quantum collective approach, the momentum relaxation time, through both electron-electron and electron-ion interactions, is obtained based on electron wave functions interacting with the continuum oscillations (plasma waves). The theoretical model presented gives a consistent and complete set of transport coefficients for a dense magnetized plasma. This unified scheme of long- and short-range interactions gives conductivity formulas which are free from the usual Debye length, which loses its physical meaning as an upper impact parameter for relatively high-density, coupled plasma.     

On the problem of interfacial damage in fibre-reinforced composites under variable loads

In this paper, the theoretical background for the failure analysis of fibre-reinforced composites under variable repeated loads in the framework of direct methods is presented. It is based on a local shakedown analysis in a representative volume element of the composite and the use of averaging techniques to study the influence of each component (matrix, fibre and interface) on the macroscopic response of such composite.