Materials Literature
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Unlike most simple, monomeric cobalt porphyrins, the cobalt tetramethylporphyrin identified in the title catalyzes the electroreduction of O 2 to H 2 O instead of H 2 O 2 . On graphite electrodes, coatings of the porphyrin prepared by irreversible adsorption from chloroform solutions catalyze the electroreduction of O…
A property, unique to the treelike structure of dendrimers, is predicted. We show that for ideal dendrimers, with a superimposed energy funnel descending from the periphery to the center, one should be able to control the preferred location of the excitation by monitoring the temperature relative to the energy funnel.…
Recent probing of H2O-D2O mixtures by various means (neutron deep-inelastic scattering, Raman absorption, electrical H+/D+ conductivity) revealed an unexpected dependence of the relevant physical quantities on the isotopic composition of the mixture. We show that these observation can find their physical rationale in…
Lanthanide and actinide sandwich complexes exhibit fundamental differences in their electronic structure which may be explained by taking into account the effects of shell structure, relativity and electron correlations (depicted schematically on the right). The results of recent theoretical as well as experimental in…
We present a numerical study of steady convection in a two-dimensional mushy layer during the directional solidification of a binary mixture. The calculations reveal the internal structure of strongly nonlinear states featuring upflow which has been focused into solid-free regions known as chimneys. The mushy layer is…
The unique properties of a new family of peroxocopper(II) complexes are discussed. They are stable at room temperature and contain the µ4-peroxo structural unit (right). Their synthesis, structure, and spectroscopic and magnetic properties are described.
Reaction of Nd(BH 4 ) 3 (THF) 3 with K 2 COT (COT = η-C 8 H 8 ) in tetrahydrofuran (THF) gave the first (cyclooctatetraene)lanthanide borohydride, (COT)Nd(BH 4 )(THF) 2 ( 1 ). By treatment with NHEt 3 BPh 4, 1 was transformed into [(COT)Nd(THF) 4 ][BPh 4 ] ( 3 ), a unique example of a (cyclooctatetraene)lanthanide cat…
Monte Carlo and molecular dynamics simulations of interlayer molecular structure in the one-, two-, and (hypothetical) three-layer hydrates of K-montmorillonite were performed concurrently in order to elucidate counterion speciation and water structure in the electrical double layer of this clay mineral. Calculated la…
The heat capacities of glassy and liquid toluene and ethylbenzene were measured with an adiabatic calorimeter. Both samples were doped with about 10% of benzene to suppress crystallization. The effects of the doping were corrected for by assuming the additivity of the heat capacities of toluene (or ethylbenzene) and b…
A monolayer of a phosphonated triarylamine adsorbed on nanocrystalline TiO2, ZrO2, or Al2O3 film deposited on conducting glass displays reversible electrochemical and electrochromic behavior although the redox potential of the electroactive molecules (0.80 V vs NHE) lies in the forbidden band of the semiconducting or…
The steric environment of alkanethiolate ligand shells of monolayer-protected gold cluster (MPCs) molecules has been investigated in three ways. First, the S N 2 reactivity of ω-bromoalkanethiolate-functionalized MPCs with primary amines has been shown to respond to the steric bulk of the incoming nucleophile (rates o…
The organic chemistry has three types of one-pot multicomponent reactions (MCRs). These do not proceed directly but stepwise by reactions of two participating chemical compounds. All components of the MCRs of type I equilibrate, whereas in MCRs of type II most of the participating components equilibrate, but at least…
has been studied by means of Mössbauer spectroscopy and x-ray diffraction. The crystal is found to have a cubic spinel structure with the lattice constant . The iron ions are in ferric states. The temperature dependences of the magnetic hyperfine fields at the nuclei at the tetrahedral (A) and octahedral (B) sites are…
Spin and charge ordered states with domain walls (DW) in two- and three-dimensional perovskite-type $3d$ transition-metal oxides have been investigated. We show that the relative stability of the DW perpendicular to the $(1,0,0)$, $(1,1,0)$, and $(1,1,1)$ directions in three dimensions and those along the $(1,0)$ and…
Mode-coupling theory applied to a classical ionic fluid predicts a new glassy phase at low densities due to long-range Coulomb interactions besides the high-density glass resulting from geometrical restrictions imposed by hard-core repulsions. The fluid-glass phase boundary exhibits a power law ${\ensuremath{\eta}}_{c…
Surface freezing in hydrated alcohol melts was studied by surface tension and x-ray methods. An $\ensuremath{\sim}2.5\AA{}$ swelling of the surface-frozen bilayer is observed at saturated humidity, due to water intercalation into the bilayer. The concomitant upshifts of 2.5 and 3--6 \ifmmode^\circ\else\textdegree\fi{}…
We report a molecular dynamics simulation study of the sound waves in vitreous silica in the mesoscopic exchanged momentum range. The calculated dynamic structure factors are in quantitative agreement with recent experimental inelastic neutron and x-ray scattering data. Analysis of the longitudinal and transverse curr…
We have studied the spin dynamics in ${\mathrm{Pr}}_{0.63}{\mathrm{Sr}}_{0.37}{\mathrm{MnO}}_{3}$ above and below the Curie temperature ${T}_{C}\phantom{\rule{0ex}{0ex}}=\phantom{\rule{0ex}{0ex}}301$ K. Three distinct new features have been observed: a softening of the magnon dispersion at the zone boundary for $T<…
We report very highly resolved photoemission spectra of ${\mathrm{NiS}}_{1\ensuremath{-}x}{\mathrm{Se}}_{x}$ across the so-called metal-insulator transition as a function of temperature as well as composition. The present results convincingly demonstrate that the low temperature, antiferromagnetic phase is metallic, w…
The binding, internalization, subcellular trafficking and in vitro cytotoxicity of N-(2-hydroxypropyl)methacrylamide (HPMA) copolymer-anti-cancer drug-OV-TL16 antibody (Ab) conjugates in the ovarian carcinoma OVCAR-3 cell line have been investigated. Adriamycin (ADR) and meso chlorin e6 mono(N-2-aminoethylamide) (Mce6…