Materials Literature
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The electronic structure of the vanadium dioxide VO_2 in the tetragonal R and two monocinic M_1 and M_2 structural modifications was calculated in frames of the local-density functional (LDA) approach and the LSDA + U formalism of correction for correlation effects. Based on the results of calculation, we argue in fav…
Hot gels get turned off: Gelation of the title molecules facilitate transfer of excitation energy exclusively from the self-assembled nanostructures (see scheme path a) to Rhodamine B and not from the single molecules (path b), thereby establishing the role of self-assembled gel nanostructures in light harvesting. The…
Abstract Moleküle mit einer großen Zahl gekoppelter paramagnetischer Zentren werden gegenwärtig intensiv erforscht. Man hofft auf Eigenschaften zu treffen, die zwischen denen isolierter Paramagnete und klassischer Magnete liegen, und damit einen eindeutigen Nachweis für das Auftreten von Größenquantisierungseffekten i…
This paper discusses the influence of nonsinusoidal flux-waveforms on the remagnetization losses in ferro- and ferrimagnetic materials of inductors, transformers and electrical machines used in power electronic applications. The nonsinusoidal changes of flux originate from driving these devices by nonsinusoidal voltag…
Molecules comprising a large number of coupled paramagnetic centers are attracting much interest because they may show properties which are intermediate between those of simple paramagnets and classical bulk magnets and provide unambiguous evidence of quantum size effects in magnets. To date, two cluster families, usu…
Phase behavior of a liquid crystalline chitin/acrylic acid liquid mixture was studied to fabricate a chitin-based composite with unique optical property. From a series of phase separation studies, we can evaluate the ternary phase diagram of a chitin microfibril, water, and acrylic acid monomer system. A suitable star…
The sol−gel technique has been used to prepare film-like iron/silica substrates for the large-scale growth of highly aligned carbon nanotubes. Here, we show that by using transmission electron microscopy (TEM) grids as shadow masks, the sol−gel technique can be readily adapted to prepare patterned film-like iron/silic…
Crystal structure prediction simulations were carried out to explore the solid state packing alternatives of two diastereomeric salts consisting of a chlorine-substituted cyclic phosphoric acid and the two enantiomers of ephedrine. The experimentally observed crystal structures were correctly simulated with an error o…
The stability of silicate MCM-41 in aqueous solutions for up to 12 days has been dramatically improved by silylation with hexamethyldisilazane (HMDS). Mesoporous molecular sieves including MCM-41 show promise for application as selective media for separations of large molecules such as proteins, which are important in…
The mechanical and physical properties of glycerol-plasticized wheat gluten films dried at different temperatures (20, 50, and 80 degrees C) and relative humidities (35 and 70% RH) were investigated. Dispersion of wheat gluten was prepared at pH 11 in aqueous solution. Films were obtained by casting the wheat gluten s…
We report molecular structures and temperature-dependent magnetic susceptibility data for several new metal complexes of heterospin triplet ground-state biradical ligands. The ligands are comprised of both nitronyl-nitroxide (NN) and semiquinone (SQ) spin carriers. Five compounds are five-coordinate M(II) complexes (M…
Highly conducting crystals based on single-component gold complexes with extended-TTF dithiolate ligands [Au(dmdt)(2)](0+) (1) and [Au(tmdt)(2)](0+) (2) were prepared (dmdt = dimethyltetrathiafulvalenedithiolate and tmdt = trimethylenetetrathiafulvalenedithiolate). On the basis of the synchrotron radiation powder diff…
Molecular dynamics (MD) simulations have been used to examine the structure and dynamics of a system containing an inorganic nanoparticle embedded in a polymer matrix. This paper represents a preliminary investigation into the feasibility of examining such relatively large systems using atomistic modeling techniques.…
Transverse NMR relaxation in a macroscopic sample is shown to be extremely sensitive to the structure of mesoscopic magnetic susceptibility variations. Such a sensitivity is proposed as a novel kind of contrast in the NMR measurements. For suspensions of arbitrary shaped paramagnetic objects, the transverse relaxation…
Metal colloidal particles are widely used as building blocks for novel materials with photonic applications. In this article, we demonstrate the synthesis of silver particles with a wide range of sizes (up to 1200 nm in radius) by reducing silver nitrate with ascorbic acid in aqueous solutions in the presence of a pol…
Abstract New multifunctional coupling agents with one 2‐oxazoline group, one oxazinone group, and one allyl ether group were prepared. It was shown by means of model reactions that under the conditions of reactive extrusion, the 2‐oxazoline group and the oxazinone group reacted selectively with carboxylic groups and a…
The potential syntheses of pure nitrogen materials may involve photolysis of azide compounds. In this work, compressed solid samples of NaN 3 were photolyzed in gem anvil cells at pressures up to 5.0 GPa. Reaction rates and mechanisms for the photolytic processes were studied using single-shot time-resolved (microseco…
Continuous crack-free microporous silica membranes were fabricated on the ordered mesoporous sublayer and possessed very promising properties of high porosity and narrow pore size distribution. These membranes displayed very high permeances and selectivities well over the Knudsen diffusion limit for gas separation. Th…
The reactivity and equilibrium thermodynamic studies of tetra-p-sulfonatophenyl porphyrin rhodium hydride ([(TSPP)Rh-D]-4) with CO, aldehydes and olefins that produce formyl, alpha-hydroxyalkyl and alkyl complexes have been explored in water and compared with the related reactions in non-aqueous media.
Treatment of FeCl2 with the lithium derivative of [CH2(Ph2PNC6H2Me3-2,4,6)2] in THF and crystallisation from Et2O gave the ‘ate’ complex [{CH(Ph2PNC6H2Me3-2,4,6)2}Fe(μ-Cl)2Li(THF)(OEt2)] in which the iron is four-coordinate and the chlorides bridge to lithium. Treatment of [M{N(SiMe3)}2] (M = Mn, Fe, Co) with [CH2(Ph2…