Search results for "Catalysis"
showing 10 items of 5944 documents
Photoluminescence in Carborane–Stilbene Triads : A Structural, Spectroscopic, and Computational Study
2016
A set of triads in which o- and m-carborane clusters are bonded to two stilbene units through Ccluster -CH2 bonds was synthesized, and their structures were confirmed by X-ray diffraction. A study on the influence of the o- and m- isomers on the absorption and photoluminescence properties of the stilbene units in solution revealed no charge-transfer contributions in the lowest excited state, as confirmed by (TD)DFT calculations. The presence of one or two B-I groups in m-carborane derivatives does not affect the emission properties of the stilbenes in solution, probably due to the rather large distance between the iodo substituents and the fluorophore. Nevertheless, a significant redshift o…
{[Cu(H2O)3][Cu(phmal)2]}n: a new two-dimensional copper(ii) complex with intralayer ferromagnetic interactions (phmal = phenylmalonate dianion)
2003
The novel sheet-like copper(II) compound of formula {[Cu(H2O)3][Cu(Phmal)2]}n (1) (Phmal = dianion of phenylmalonic acid) has been synthesized and its crystal structure determined by X-ray diffraction. The structure of 1 consists of 21 chains of carboxylate(phenylmalonate)-bridged copper(II) ions which are linked through double μ-oxo(carboxylate) units to afford a two-dimensional network. The interlayer space is filled by the phenyl rings of the phenylmalonate ligands that exhibit offset face-to-face interactions. Variable-temperature magnetic measurements of 1 show the occurrence of significant intralayer ferromagnetic interactions between the copper(II) ions through anti–syn carboxylate- …
Three‐Component Self‐Assembly Changes its Course: A Leap from Simple Polymers to 3D Networks of Spherical Host–Guest Assemblies
2021
Angewandte Chemie / International edition 60(21), 12132 - 12142 (2021). doi:10.1002/anie.202103178
Single-Crystal X-Ray Diffraction Study of Pressure and Temperature-Induced Spin Trapping in a Bistable Iron(II) Hofmann Framework.
2020
High-pressure single-crystal X-ray diffraction has been used to trap both the low-spin (LS) and high-spin (HS) states of the iron(II) Hofmann spin crossover framework, [FeII (pdm)(H2 O)[Ag(CN)2 ]2 ⋅H2 O, under identical experimental conditions, allowing the structural changes arising from the spin-transition to be deconvoluted from previously reported thermal effects.
Preparation of photocatalytic brookite thin films
2007
Pure brookite films were deposited from a brookite dispersion obtained by peptizing a mixture brookite–rutile prepared by thermolysis of TiCl4 in a HCl solution. The films were characterised by X-ray diffraction and Raman spectroscopy. The photoactivity of the samples was tested by using the photo-oxidation of 2-propanol in gas–solid regime as a probe reaction. The brookite films efficiently degraded 2-propanol under UV illumination.
Chirality and electronic structure of the thiolate-protected Au38 nanocluster.
2010
Structural, electronic, and optical properties of the thiolate-protected Au(38)(SR)(24) cluster are studied by density-functional theory computations (R = CH(3) and R = C(6)H(13)) and by powder X-ray crystallography (R = C(12)H(25)). A low-energy structure which can be written as Au(23)@(Au(SR)(2))(3)(Au(2)(SR)(3))(6) having a bi-icosahedral core and a chiral arrangement of the protecting gold-thiolate Au(x)(SR)(y) units yields an excellent match between the computed (for R = C(6)H(13)) and measured (for R = C(12)H(25)) powder X-ray diffraction function. We interpret in detail the electronic structure of the Au(23) core by using a particle-in-a-cylinder model. Although the alkane thiolate l…
Time-resolved X-ray powder diffraction on a three-way catalyst at the GILDA beamline
2003
Time-resolved X-ray diffraction experiments carried out at the beamline BM08-GILDA of ESRF allowed a study of the structural modifications taking place in a Pt/ceria-zirconia catalyst while the CO oxidation reaction was in progress. The capillary tube in which the sample is stored acts effectively as a chemical microreactor that ensures homogeneity of the sample treatments and minimization of diffusion effects. During the flowing of the reactant CO/He mixture, the investigated catalyst undergoes a fast Ce(IV)-Ce(III) partial reduction that involves the release of one O atom for every two reduced Ce cations. Because Ce(III) has a larger ionic radius than Ce(IV), the structural modification p…
Microfluidic Synthesis of Highly Shape-Anisotropic Particles from Liquid Crystalline Elastomers with Defined Director Field Configurations
2011
In this article, we present the synthesis of highly shape-anisotropic, micrometer-sized particles from liquid crystalline elastomers, which have the ability to reversibly change their shape in response to a certain external stimulus. For their preparation, we utilized a microfluidic setup. We succeeded in preparing sets of particles with differing degrees of shape anisotropy in their ground state including highly anisotropic fiber-like objects. All samples produced movement during the phase transition from the nematic to the isotropic phase of the liquid crystal. Depending on the direction of this shape change, we classified the samples in two groups. One type showed a contraction, while th…
High proton conduction in a chiral ferromagnetic metal-organic quartz-like framework.
2011
A complex-as-ligand strategy to get a multifunctional molecular material led to a metal-organic framework with the formula (NH(4))(4)[MnCr(2)(ox)(6)]·4H(2)O. Single-crystal X-ray diffraction revealed that the anionic bimetallic coordination network adopts a chiral three-dimensional quartz-like architecture. It hosts ammonium cations and water molecules in functionalized channels. In addition to ferromagnetic ordering below T(C) = 3.0 K related to the host network, the material exhibits a very high proton conductivity of 1.1 × 10(-3) S cm(-1) at room temperature due to the guest molecules.
Ab Initio Structure Determination of Vaterite by Automated Electron Diffraction
2012
tion that is fundamental for understanding material properties. Still, a number of compounds have eluded such kinds of analysis because they are nanocrystalline, highly disordered, with strong pseudosymmetries or available only in small amounts in polyphasic or polymorphic systems. These materials are crystallographically intractable with conventional Xray or synchrotron radiation diffraction techniques. Single nanoparticles can be visualized by high-resolution transmission electron microscopy (HR-TEM) up to sub�ngstrom resolution, [2] but obtaining 3D information is still a difficult task, especially for highly beam-sensitive materials and crystal structures with long cell parameters. Elec…