Materials Literature
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The kinetics of the thermal decomposition of tin tetrachloride has been studied experimentally and theoretically. Ab initio MO calculations showed that SnCl 4 finally decomposed into Sn( 3 P) and four chlorine atoms through four subsequent Sn−Cl bond dissociation channels. Two sets of kinetic experiments were performe…
A novel class of supramolecular assemblies in organic media consisting of a molecular wire of a halogen-bridged platinum complex [Pt(en)2][PtCl2(en)2]4+ (en = 1,2-diaminoethane) and anionic amphiphiles is developed. When double-chained phosphates or sulfonates are employed, the resultant [Pt(en)2][PtCl2(en)2](4+)-lipi…
The in-plane oxygen vibrations in La 2 NiO 4 are investigated for several hole-doping concentrations both theoretically and experimentally via inelastic neutron scattering. Using an inhomogeneous Hartree-Fock plus random-phase approximation numerical method in a two-dimensional Peierls-Hubbard model, it is found that…
Electron paramagnetic resonance (EPR) investigations of the ordering behaviour in single crystals of Cr 3+ -doped dimethylammonium aluminium sulphate hexahydrate (DMAAS) are presented at the transition from the ferroelastic to the ferroelectric phase. The measurements on chromium-doped DMAAS show that the Cr 3+ probe…
The NH tautomerism of five Mg-free chlorophyll a and b derivatives 2-6 was studied utilizing NMR spectroscopy and molecular modeling. The results from the dynamic NMR measurements of the chlorins revealed that substituent effects contribute crucially to the free energy of activation (DeltaG(double dagger)) in the NH t…
1-Phenyl-5-(benzotriazol-1-yl)hexahydro-1H-pyrrolo[1,2-a]ĭmidazole (18) and 1-phenyl-5-benzotriazolyloctahydroimidazo[1,2-a]pyridine (27) were readily prepared from succindialdehyde or glutaraldehyde, benzotriazole, and N-phenylethylenediamine. Synthons 18 and 27 reacted with Grignard reagents, allylsilanes, silyl eth…
In the context of nuclear waste disposal, the possibility of incorporating selectively plutonium and cesium in a mono-silicate neodymium-fluoroapatite Ca 9 Nd(SiO 4 )(PO 4 ) 5 F 2 (britholite) is investigated. For this purpose, a force field for the modeling of fluoroapatite Ca 10 (PO 4 ) 6 F 2 is established based up…
Optical absorption and photoluminescence properties of Er 3+ -doped 70TeO 2 -30ZnO glass are investigated. Judd-Ofelt intensity parameters of Er 3+ have been determined to calculate the radiative transition probabilities and the radiative lifetimes of excited states. An infrared to visible up-conversion was observed a…
ADVERTISEMENT RETURN TO ISSUEPREVNoteModification of the Interlayer Surface of Kaolinite with Methoxy GroupsYoshihiko Komori, Hiroyuki Enoto, Ryoji Takenawa, Shigenobu Hayashi, Yoshiyuki Sugahara, and Kazuyuki KurodaView Author Information Department of Applied Chemistry, School of Science and Engineering, Waseda Univ…
We are able to disentagle the effects of the intraband and interband parts of the bulk dielectric function on the bare dielectric anisotropy of the surface. We show how the position, sign and amplitude of the structures observed in such spectra depend on the above quantities. The lineshape of all the calculated struct…
Dimer C60 solids are monoclinic crystals with molecular longer axis aligned along the c-axis. A simple model based on atom-atom potential used to calculate various bulk, structural and thermodynamic properties of this fullerite, has also been used to investigate the pressure and temperature dependent properties such a…
We study the effect of planar defects in phononic crystals of spherical scatterers. It is shown that a plane of impurity spheres introduces modes of vibration of the elastic field localized on this plane at frequencies within a frequency gap of a pure phononic crystal; these show up as sharp resonances in the transmit…
An ab initio study of the doping of alkali halide crystals (AX: A = Li, Na, K, Rb; X = F, Cl, Br, I) by ns2 anions (Ag- and Cu-) is presented. Large active clusters with 179 ions embedded in the surrounding crystalline lattice are considered in order to describe properly the lattice relaxation induced by the introduct…
The room temperature structure of aluminum, copper and gold infinite nanowires is studied. The molecular dynamics simulation method and the same type of the embedded atom potentials made by Voter and coworkers are used. It was found that multi-shelled and various filled metallic nanowires exist depending on the metal…
Four different redox states of the trinuclear ruthenium clusters of general formula [Ru3(μ3-O)(μ-CH3CO2)6(L)3] (L = xylyl isocyanide (1), tert-butyl isocyanide (2)) were generated electrochemically in solution and studied by reflectance infrared spectroelectrochemistry. The IR spectra in the ν(C⋮N) region show multipl…
Two new lupane derivatives, 3beta,6alpha-dihydroxylup-20(29)-ene (1) and 6alpha-hydroxylup-20(29)-en-3beta-octadecanoate (2), have been isolated from the stems of Periploca aphylla, in addition to beta-sitosterol and lupeol. The structures of 1 and 2 were determined by spectral and chemical methods. Compound 1 showed…
This chapter explores crystals in formulated products. Having developed a process for preparing a product in a crystalline form, it is important to appreciate that these crystals usually then have to be transformed into a product. In some cases, this is achieved by further chemical reaction, in others by formulation.…
Ultracentrifuge and light scattering measurements are performed to study static and dynamic properties for a suspension of well-defined platelike colloids to first order in concentration. Both the form factor and the diffusion coefficient at infinite dilution match theoretical expressions if polydispersity is incorpor…
A series of homoleptic bis[2,3,9,10,16,17,23,24-octakis(octyloxy)phthalocyaninato] rare earth(III) sandwich complexes {M[Pc(OC8H17)8]2 (M = La, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Y, Ho, Er, Tm) (1) and (3)–(13), and HCe[Pc(OC8H17)8]2 (2)} has been prepared by the cyclic tetramerization of 4,5-di(octyloxy)phthalonitrile on th…
Waste minimisation has a number of aims which include enhancing the intrinsic selectivity of any given process, providing a means of recovering reagents in a form which allows easy regeneration and the replacement of stoichiometric processes with catalytic ones. Solids, as catalysts or as supports for other reagents,…