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The main “molecular” physicochemical aspects involved in the catalytic applications of “soluble” transition metal nanoparticles in ionic liquids are used to explain their properties. In particular, a special view on the concepts of coordination catalysis is used to describe the properties of these nanoscale catalysts…
ADVERTISEMENT RETURN TO ISSUEPREVReviewNEXTExplicitly Correlated R12/F12 Methods for Electronic StructureLiguo Kong, Florian A. Bischoff, and Edward F. Valeev*View Author Information Department of Chemistry, Virginia Tech, Blacksburg, Virginia 24061, United States*E-mail: [email protected]Cite this: Chem. Rev. 2012, 1…
Abstract Growth conditions and electron paramagnetic resonance investigations of two well oriented KSm(WO4)2 and KEr(WO4)2 single crystals have been presented and discussed. Hyperfine structure of Sm3+ ion was detected and analyzed for angular and temperature dependences. EPR spectra of KEr(WO4)2 and its angular depen…
The in situ heterogeneous catalytic reaction of formic acid decomposition was applied as a 'reaction template' in the synthesis of porous Pd black. The obtained porous Pd black was characterized by transmission electron microscopy, electrochemical measurements and x-ray photoelectron spectroscopy. It was found that th…
The large-amplitude free vibration analysis of double-walled carbon nanotubes embedded in an elastic medium is investigated by means of a finite element formulation. A double-beam model is utilized in which the governing equations of layers are coupled with each other via the van der Waals interlayer forces. The Von K…
Abstract A novel aza‐aromatic base adduct of cadmium(II) thenoyltrifluoroacetonate, [Cd(phen)(ttfa)2] (1), (phen = 1, 10‐phenanthroline; ttfa = thenoyltrifluoroacetonate) was synthesized and characterized by elemental analysis, IR, 1H NMR, and 13C NMR spectroscopy, thermal analysis as well as X‐ray crystallography. Th…
Magnesium single crystals with different initial orientations were processed by single-pass equal channel angular pressing (ECAP) at 503 K. The texture in the crystals after ECAP was investigated by electron backscatter diffraction and compared to texture simulations based on a visco-plastic self-consistent model. The…
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The charge distribution in the surface BEDT-TTF layer of the α-(BEDT-TTF) 2 I 3 crystal with the charge disproportionation state at room temperature was studied in detail by a scanning tunneling microscope (STM), where BEDT-TTF (abbreviated as ET) is bis(ethylenedithio)tetrathiafulvalene. The obtained molecular charge…
By using a double-aberration-corrected (scanning) transmission electron microscope (STEM/TEM) at an acceleration voltage of only 80 kV, we demonstrate that, due to the low solubility of copper (Cu) in carbon and its affinity with oxygen (O), single-crystal Cu catalysts dissociate into small cuprous oxide (Cu2O) nanopa…
Abstract The novel uranium thiophosphate CsLiU(PS4)2has been synthesized by reacting uranium metal, Cs2S, Li2S, S, and P2S5at 700 °C in an evacuated silica tube. The crystal structure was determined by single‐crystal X‐ray diffraction techniques. CsLiU(PS4)2crystallizes in the rhombohedral space groupR$\bar{3}$ c(a= 1…
The dissolution of Si(1-x)Ge(x)O(2) solid solutions under hydrothermal conditions was studied by in situ X-ray absorption spectroscopy. Experiments were performed at the Ge K-edge using a high-pressure cell mounted on the FAME beamline of the European Synchrotron Radiation Facility. Spectra in both transmission and fl…
Reaction of the deprotonated N-thiophosphorylated thiourea (4'-benzo-15-crown-5)NHC(S)NHP(S)(OiPr)(2) (HL) with NiCl(2) in aqueous EtOH leads to dark green [Ni(L-1,5-S,S')(2)]·2H(2)O crystals that were isolated by recrystallization from a mixture of CH(2)Cl(2) and n-hexane.
A simple method has been developed to measure the dimensions of triaxial nanoparticles through light scattering data. The application of Debye's expansion of the form factor has been extended beyond the second moment of the difference of distances (radius of gyration). Analytical expressions have been derived for the…
Four novel mixed metal selenites or tellurites containing PdO(4) squares, namely, BaPd(SeO(3))(2), Bi(2)Pd(SeO(3))(4), and Pb(2)Pd(QO(3))(2)Cl(2) (Q = Se, Te), have been prepared and structurally characterized by single crystal X-ray diffraction analyses. These compounds exhibit three different types of anionic struct…
We present the magnetic and optical properties of various combinations of ordered spin state configurations between low-spin (LS) state, intermediate-spin (IS) state, and high-spin (HS) state of LaCoO(3) . In this study, we use the state-of-the-art first principles calculations based on generalized gradient (GGA) + Hu…
Plasma volume (PV) is an important determinant of cardiovascular function and organ perfusion, and it is the target of infusion and diuretic therapies in daily clinical practice. Despite its fundamental importance PV is not commonly measured because available methods of tracer dilution are reliant on dye substances th…
Ag nanostructures with controlled morphologies have been synthesized on GaN epitaxial films through a convenient, fast, and surfactantless photochemical method. On n-type GaN, uniform spheroidic Ag nanoparticles (NPs) of high density were obtained after photochemical reaction for a short time (30 s to 5 min) in AgNO3…
Oxidation of CpCr[(XylNCMe)(2)CH] (Xyl = 2,6-Me(2)C(6)H(3)) with pyridine N-oxide or air generated the μ-oxo dimer, {CpCr[(XylNCMe)(2)CH]}(2)(μ-O). The μ-oxo dimer was converted to paramagnetic Cr(III) CpCr[(XylNCMe)(2)CH](X) complexes (X = OH, O(2)CPh, Cl, OTs) via protonolysis reactions. The related Cr(III) alkoxide…
A basic bismuth(III) nitrate with the composition [Bi(6)O(4)(OH)(4)](0.5)[Bi(6)O(5)(OH)(3)](0.5)(NO(3))(5.5) formed in a slow crystal growth mode has an ordered crystal structure with the monoclinic space group P2(1) and lattice parameters a = 15.850(3), b = 14.986(3), c = 18.230(4) Å, β = 107.329(17)° and volume V =…