Materials Literature
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The extent of metal−ligand orbital mixing and the degree of electronic coupling between [M(bpy) 2 ] 2+ fragments linked through a redox active 1,4-dihydroxy-2,5-bis(pyrazol-1‘-yl)benzene (p-L) bridge is described, where M is Os or Ru and bpy is 2,2‘-bipyridyl. This is the first reported example of osmium and ruthenium…
Molecular dynamics answers the question “what is ‘liquid’?” by describing the detailed dynamic structure of simulated liquids in the many-dimensional phase space of statistical mechanics. The Lyapunov instabilities of liquid motion reveal collective dynamic modes, quite unlike those of solid state studies, superimpose…
Studies have been carried out on two solvent-dependent structures of Co(NO 3 ) 2 with trans -1,2-bis(4-pyridyl)ethylene (bpee) and their interconversions. X-ray analyses disclose that the molecule obtained in MeOH/CHCl 3 is an infinite ladder structure, [Co(NO 3 ) 2 (bpee) 1.5 ·3CHCl 3 ] n (triclinic P 1̄; a = 10.415(…
The structure of thin films of a symmetric diblock copolymer, P(dS- b -MMA) (dS = perdeuterated styrene, MMA = methyl methacrylate), was investigated near preferential and nonpreferential (neutral) surfaces. Neutral surfaces were achieved at the substrate and air interfaces by localizing random copolymer, P(S- r -MMA)…
A fast flow reactor-quadrupole mass spectrometer coupled with a laser vaporization source is used to study the gas-phase reactions of nickel and nickel oxide cluster anions (Ni x O y -, where x = 1−12 and y = 0, 1, or 2) with nitric oxide. The results indicate that three processes are occurring in the presence of the…
A new class of hybrid redox polyether melts has been prepared by covalent attachment of short polyethylene oxide “tails” to perylene, resulting in highly viscous materials with improved solubility in common solvents ranging from alcohols to toluene. Solid-state voltammetry of the neat, undiluted materials is made poss…
Three new layered phosphates were isolated by employing high-temperature, solid-state reactions. These compounds belong to the A I 2 B II P 2 O 7 family. Na 2 MnP 2 O 7, 1, crystallizes in the triclinic space group P 1̄ (No. 2) with a = 5.316(2) Å, b = 6.580(2) Å, c = 9.409(3) Å, α = 109.65(3)°, β = 95.25(3)°, γ = 106…
Ruddlesden−Popper (RP) phases with the formula (CaO)(CaMnO 3 ) n, where n = 1, 2, 3, and ∞, have been prepared using the Pechini citrate gel process at temperatures as low as 900 °C under flowing oxygen. The compounds were characterized by X-ray powder diffraction, Rietveld profile analysis, thermal gravimetric analys…
Electroactive polymers from 3-(4-fluorophenyl)thiophene, 3-(4-cyanophenyl)thiophene, 3-(4-methylsulfonylphenyl)thiophene, and 3-(3,4-difluorophenyl)thiophene were electrochemically deposited onto carbon paper electrodes from tetramethylammonium trifluoromethanesulfonate (Me 4 NCF 3 SO 3 )/acetonitrile and/or tetraethy…
We report study of recovery dynamics, followed by in-situ resistivity measurement after 100 MeV oxygen ion irradiation, in cold rolled Fe at 300K. Scaling behavior with microstructural density and temperature of sample have been used to establish stress induced defects formed during irradiation as a new type of sink.…
We describe instrumentation that has been constructed at the National Institute of Standards and Technology (NIST) for measurement of the index of refraction of solid materials in the spectral region from 0.5 micrometer to 1000 micrometer using Fourier-transform based spectrophotometers and etalon samples. Preliminary…
Liquid−liquid equilibrium data for the extraction of cyclohexane + benzene + dimethyl formamide with 10, 20, 30, and 50 mass % ethylene glycol were measured. The NRTL equation was used to correlate the experimental data and to predict the phase composition of the quaternary system. The agreement between the predicted…
This paper describes various methods for the construction of trapped mode solutions within wave guides and along diffraction gratings; in the latter case the solutions are often called Rayleigh–Bloch waves. One of the main results is the explicit construction of a number of new trapped mode solutions within a wave gui…
The supramolecular assembly of octyl-, hexadecyl-, and benzyl-substituted complementary tectonics based upon barbiturates (BA) and 2,4,6-triaminopyrimidines (TP) were studied in bulk, in cyclohexane, and in a polypropylene matrix. As evidenced by means of wide-angle X-ray scattering, FTIR spectroscopy, and atomic forc…
Tris(2-mercaptobenzyl)amine, S 3 N, and tris(2-hydroxybenzyl)amine, O 3 N, were investigated with In 3+ and Ga 3+ in solution and in the solid state to help interpret the contrasting in vivo behavior of their complexes as diagnostic imaging probes. To this end the protonation and metal binding constants were determine…
Following on from previous work on free-base porphyrin, we present the results of a comprehensive study on the structure and inner-hydrogen migration in porphycene, a structural isomer of porphyrin. We used density functional theory with the hybrid B3-LYP exchange-correlation functional, and both the 6-31G(d) and a tr…
An aluminium single crystal of cube orientation has been rolled to 15, 30 and 50% reductions under controlled homogeneous rolling conditions. The deformation structure of the rolled specimens was investigated by both scanning electron microscopy (SEM) and transmission electron microscopy (TEM) over several scales of m…
Using isobaric semigrand Monte Carlo simulations, we have investigated the phase behavior of a model for polydisperse rodlike colloids. The system consists of hard spherocylinders in the limit of infinite aspect ratio, with polydispersity in the length of the particles. If the polydispersity is small (standard deviati…
One of the fundamental problems in simulating the motion of sharp interfaces between immiscible fluids is a description of the transition that occurs when the interfaces merge and reconnect. It is well known that classical methods involving sharp interfaces fail to describe this type of phenomena. Following some previ…
thin films have been prepared firstly by an atmospheric-pressure metal-organic chemical vapour deposition technique. Smooth and polycrystalline films with uniform composition were deposited onto silicon substrates at a substrate temperature of for 1 h and the fully (001)-textured films were obtained with a rapid therm…