Halogens in competition: electronic structure of mixed dihalobenzenes

The electronic structure of all isomeric dihalobenzenes C6H4XY (X, Y = Cl, Br, I) has been investigated by HeI/HeII photoelectron spectroscopy, Green's functions calculations, and comparison with the spectra of related dihalobenzenes C6H4X2 (X = Cl, Br, I). The careful analysis of measured pi orbital and halogen lone pair ionization energies enabled us to describe substituent effects in terms of resonance, inductive, steric, and spin-orbit coupling interactions.     

Addition of Al(OH)3 versus AlO(OH) nanoparticles on the optical,thermo-mechanical and heat/oxygen transmission properties of microfibrillated cellulose films

Cellulose - Differently structured aluminum (tri/mono) hydroxide (Al(OH)3 /AlO(OH)) nanoparticles were prepared and used as thermal-management additives to microfibrillated cellulose (MFC),...     

Computer simulation studies of counterion effects on the properties of surfactant systems

Recent developments in the computer simulation studies of the effects of counterions on the properties of ionic surfactant systems in contact with aqueous solution phase are discussed. The article deals with three types of systems: normal micelles, monolayers at the air/aqueous solution interface, and reverse micelles, i.e., water-in-oil microemulsions.     

Spectroscopies and Electron Microscopies Unravel the Origin of the First Colour Photographs

The first colour photographs were created by a process introduced by Edmond Becquerel in 1848. The nature of these photochromatic images colours motivated a debate between scientists during the XIX^th century, which is still not settled. We present the results of chemical analysis (EDX, HAXPES and EXAFS) and morphology studies (SEM, STEM) aiming at explaining the optical properties of the photochromatic images (UV‐visible spectroscopy and low loss EELS). We rule out the two hypotheses (pigment and interferences) that have prevailed since 1848, respectively based on variations in the oxidation degree of the compound forming the sensitized layer and periodically spaced photolytic silver planes. A study of the silver nanoparticles dispersions contained in the coloured layers showed specific localizations and sizes distributions of the nanoparticles for each colour. These results allow us to formulate a plasmonic hypothesis on the origin of the photochromatic images colours.     

Trans-annular interactions in morpholines: A photoelectron spectroscopic study

The He I and He II photoelectron spectra of 4-methylmorpholine, 4-morpholinecarbonitrile, and 4-morpholinepropionitrile have been measured. The electronic structure and heteroatom lone pair interactions, in particular, were analyzed with the aid of HeII/HeI intensity variations, comparison with the spectra of related compounds, and AM1 semiempirical calculations. We present an example of combined inductive and resonance interactions operating in the morpholine ring system.     

Influence of Initial pH Value on the Adsorption of Reactive Black 5 Dye on Powdered Activated Carbon: Kinetics,Mechanisms, and Thermodynamics

The aim of this work was to investigate the influence of initial pH value (pH₀) on the isothermal adsorption of Reactive Black 5 (RB5) dye on commercial powdered activated carbon. Four initial pH values were chosen for this experiment: pH₀ = 2.00, 4.00, 8.00, and 10.00. In order to investigate the mechanism of adsorption kinetic, studies have been performed using pseudo-first-order and pseudo-second-order kinetic models as well as an intraparticle diffusion model. In addition, thermodynamic parameters of adsorption were determined for pH₀ = 4.00. Results of this research showed that the initial pH value significantly influences the adsorption of RB5 dye onto activated carbon. The highest adsorption capacities (q_e) and efficiencies of decolouration were observed for initial pH values of pH₀ = 2.00 (q_e = 246.0 mg g⁻¹) and 10.00 (q_e = 239.1 mg g⁻¹) due to strong electrostatic interactions and attractive π···π interactions, respectively. It was also shown that the adsorption of RB5 dye on activated carbon at all initial pH values is kinetically controlled, assuming a pseudo-second-order model, and that intraparticle diffusion is not the only process that influences on the adsorption rate.     

2p Photoabsorption in amorphous,trigonal and monoclinic selenium

The 2p photoabsorption spectra of amorphous and polycrystalline trigonal and α-monoclinic selenium have been studied. Our experimental results, accounting for the transition probabilities and inner level broadening, are in qualitative agreement with Kramer's pseudo-potential formalism calculations of the density of unoccupied states. The amorphous selenium spectrum seems intermediate between the two crystalline form spectra and we deduce that both trigonal chains and monoclinic rings are randomly distributed in the amorphous phase.     

Data bank: The PE Spectra of Paracyclophanes with Unsaturated Bridges and of Related Molecules

The PE spectroscopic data for a series of [2.2]paracyclophanes with olefinic and/or aromatic bridges, and of a few related molecules are reported, together with tentative assignments based on simple MO models.     

Blends of carbon blacks and multiwall carbon nanotubes as reinforcing fillers for hydrocarbon rubbers

The reinforcement of a styrene‐butadiene rubber (SBR) by single fillers—carbon black (CB) or multiwall carbon nanotubes (MWNTs)—or by mixtures of CB and MWNTs, is investigated. The morphologies, mechanical and electrical properties of the composites, are analyzed. A significant improvement in the tensile properties is observed for samples containing a dual phase. Using atomic force (AFM) and transmission electron (TEM) microscopies, we demonstrate that the double loading improves the dispersion of the nanotubes in SBR. Electrical measurements show lower resistivity and a lower percolation threshhold for composites containing blends of fillers, which provides further evidence of better dispersion. © 2008 Wiley Periodicals, Inc. J Appl Polym Sci 46: 1939–1951, 2008