Materials Literature
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Thermally stable, mesoporous, and microporous zirconium-doped silica were prepared via supramolecular templating under low pH conditions. Zirconium loadings of up to 20 wt % were successfully incorporated into the porous silica-based framework, giving materials with very high surface areas, uniform pore sizes, and por…
We have prepared neodymium(III) and ytterbium(III) complexes from a range of poly(pyrazolyl)borate ligands and studied their near-IR luminescence properties, in particular using solution lifetimes obtained in protonated and deuterated methanol to determine the extent of solvation of the complexes. For the neodymium co…
The first heavily substituted triphenylenophthalocyanines have been synthesised and found to be mesogenic.
The mode-coupling theory for ideal glass transitions in simple systems is generalized to a theory for the glassy dynamics of molecular liquids using the density fluctuations of the sites of the molecule's constituent atoms as the basic structure variables. The theory is applied to calculate the liquid-glass phase diag…
The synthesis of benzylpenicilloyl-containing dendrimers has been achieved by a convenient procedure involving quantitative functionalization of the terminal amino groups of the three Starbust PAMAM generations used (G(n); n = 0, 1, 2). All these densely penicilloylated dendrimers (G(n)P) exhibit similar, simple NMR s…
The polymorphism of 2,2-dichloropropane ((CH 3 ) 2 CCl 2 ) has been further investigated by both thermal and X-ray powder diffraction experiments. From the former the phase transitions between the different phases have been characterized at normal pressure as well as at high pressures (up to 200 MPa). From the p − T s…
Three new sulfides Li2CdSnS4 (1), Na2CdSnS4 (2) and Na6CdSn4S12 (3), have been synthesized using a molten flux of alkali-metal polysulfides and structurally characterized by single crystal X-ray diffraction studies. Both the layered compound 1 and the three-dimensional compound 2 have tetrahedral anionic frameworks of…
We have developed a novel approach for simple and convenient detection of ligand−receptor interactions with high sensitivity and selectivity. The method harnesses a reversible fluorescence quenching between nonfluorescent polyelectrolyte quenchers and fluorescent probes tagged to ligands. Formation of more strongly bo…
The ligand tris(2-hydroxyiminopropyl)amine (Ox(3)H(3)) binds to nickel(II) in multiple protonation states. In the neutral state, the X-ray crystal structure of the monomeric complex [Ni(Ox(3)H(3))(NO(3))(H(2)O)](NO(3)).(H(2)O), 1, has six-coordinate pseudo-octahedral geometry, with binding of the amine and three oxime…
35 Cl NMR experiments and molecular dynamics modeling provide significant new insight into the structure and dynamics of the interlayer species in the layered double hydroxide (LDH) LiAl 2 (OH) 6 Cl· n H 2 O. The LiAl 2 LDHs have wide ranging potential applications as catalysts, as filtration and exchange materials, a…
The development of novel supramolecular materials with nanometer-scale architectures and the effect of these architectures on the materials' properties are presently of great interest in molecular design. Liquid crystalline assemblies of rod like mesogenic molecules containing flexible coils (rod-coil molecules) provi…
Nanocrystalline rutile TiO2 with average crystal sizes of 6.9–10.5 nm and specific surface areas of 70.3–141.0 m2g−1 were prepared by hydrolysis of TiCl4 aqueous solution at lower temperatures. The presence of small amounts of nano rutile TiO2 as crystal seed could obviously accelerate the crystallization of TiO2, mak…
Graphite felt supporting 40 nm diameter carbon nanofibers was synthesized and successfully used as a support for a high loaded iridium catalyst (30 wt%) in the decomposition of hydrazine; a strong mechanical resistance and a high thermal conductivity led to a very efficient and stable catalyst as compared to that used…
The packing of uniform fine spherical particles ranging from 1 to 1000 microm has been simulated by means of discrete particle simulation. The packing structure is analyzed, facilitated by the well established Voronoi tessellation. The topological and metric properties of Voronoi polyhedra are quantified as a function…
Several methods have been employed to synthesize SiC nanowires. The methods include heating silica gel or fumed silica with activated carbon in a reducing atmosphere, the carbon particles being produced in situ in one of the methods. The simplest method to obtain β-SiC nanowires involves heating silica gel with activa…
We present first-principles calculations of the bulk and linear moduli of carbon nanotube bundles and individual tubes. The calculations were done using the local-density approximation of density-functional theory. We found the bundle bulk modulus (37 GPa) to be essentially the same as that of graphite (between 34 and…
The size segregation of granular materials in a vibrating container is investigated using Molecular Dynamics. We find that the rising of larger particles is accompanied by the existence of convection cells even in the case of the lowest possible frequencies. The convection can, however, also be triggered by the larger…
Single-crystalline In2O3 nanowires have been successfully synthesized from indium grains by a vapor–solid method at 1030 °C in 90% Ar and 10% O2 atmosphere. These nanowires are uniform with diameters of 40–120 nm and lengths of about 15–25 µm, and crystallize in a cubic structure. The growth of these nanowires is cont…
We have directly observed self-trapped electrons and holes in PbBr$_{2}$ crystals with electron-spin-resonance (ESR) technique. The self-trapped states are induced below 8 K by two-photon interband excitation with pulsed 120-fs-width laser light at 3.10 eV. Spin-Hamiltonian analyses of the ESR signals have revealed th…
The remarkable anharmonicity of the E_{2g} phonon in MgB_2 has been suggested in literature to play a primary role in its superconducting pairing. We investigate, by means of LDA calculations, the microscopic origin of such an anharmonicity in MgB_2, AlB_2, and in hole-doped graphite. We find that the anharmonic chara…