Search results for "Diffraction"
showing 10 items of 1584 documents
The Structural Diversity of Benzofuran Resorcinarene Leads to Enhanced Fluorescence
2014
An unexpected and previously unknown resorcinarene mono-crown with a fused benzofuran moiety in its macrocyclic core was obtained as a byproduct from a bridging reaction of tetramethoxy resorcinarene with tetraethylene glycol ditosylate. The formation of the fused benzofuran moiety in the resorcinarene macrocycle resulted in a unique rigid and puckered boat conformation, as shown by XRD studies in the solid state. Modification of the macrocycle was also observed to affect the photophysical properties in solution by enhancing the fluorescence brightness compared with a conventional resorcinarene macrocycle. The fluorescent properties enabled unique detection of structural features, that is, …
Influence of M23C6 carbides on the heterogeneous strain development in annealed 420 stainless steel
2020
Understanding the local strain enhancement and lattice distortion resulting from different microstructure features in metal alloys is crucial in many engineering processes. The development of heterogeneous strain not only plays an important role in the work hardening of the material but also in other processes such as recrystallization and damage inheritance and fracture. Isolating the contribution of precipitates to the development of heterogeneous strain can be challenging due to the presence of grain boundaries or other microstructure features that might cause ambiguous interpretation. In this work a statistical analysis of local strains measured by electron back scatter diffraction and …
Airy-function approach to binary black hole merger waveforms: The fold-caustic diffraction model
2022
From numerical simulations of the Einstein equations, and also from gravitational wave observations, the gravitational wave signal from a binary black hole merger is seen to be simple and to possess certain universal features. The simplicity is somewhat surprising given that non-linearities of general relativity are thought to play an important role at the merger. The universal features include an increasing amplitude as we approach the merger, where transition from an oscillatory to a damped regime occurs in a pattern apparently oblivious to the initial conditions. We propose an Airy-function pattern to model the binary black hole (BBH) merger waveform, focusing on accounting for its simpl…
Pseudopeptidic ligands: exploring the self-assembly of isophthaloylbisglycine (H2IBG) and divalent metal ions.
2012
We present a systematic study of the complexation of the new pseudopeptidic ligand isophthaloylbisglycine (H(2)IBG) with divalent metal ions of varying ionic radius. This work represents the initial employment of H(2)IBG in the coordination chemistry of alkaline earth, 3d transition, Zn(II) and Cd(II) metal elements. Infrared, NMR, thermal, magnetic, adsorption and theoretical studies of these compounds are also discussed.
Pressure-Induced Polymerization of Polycyclic Arene-Perfluoroarene Cocrystals: Single Crystal X-ray Diffraction Studies, Reaction Kinetics, and Desig…
2020
Pressure-induced polymerization of aromatic compounds leads to novel materials containing sp3 carbon-bonded networks. The choice of the molecular species and the control of their arrangement in the crystal structures via intermolecular interactions, such as the arene–perfluoroarene interaction, can enable the design of target polymers. We have investigated the crystal structure compression and pressure-induced polymerization reaction kinetics of two polycyclic 1:1 arene–perfluoroarene cocrystals, naphthalene/octafluoronaphthalene (NOFN) and anthracene/octafluoronaphthalene (AOFN), up to 25 and 30 GPa, respectively, using single-crystal synchrotron X-ray diffraction, infrared spectroscopy, a…
Studies of the Ca4Mn3O10structure obtained using high pressure and high temperature
2002
An ideal n = 3 member of the group of Ruddlesden?Popper (RP) phases Ca4Mn3O10 was obtained by solid-state reaction under high pressure. This phase has been studied by transmission electron microscopy, convergent beam electron microscopy, high-resolution transmission electron microscopy, and parallel electron energy-loss spectroscopy. The lattice parameters are derived as a = b = 0.37 nm and c = 2.69 nm with the space group I4/mmm, which is the space group of the ideal RP phase.
Langmuir-Blodgett Mono- and Multilayer Assemblies of Amphiphilic Liquid- Crystalline n-Alkyl-4′-n-alkoxybiphenyl-4-carboxylates. I
1991
Five n-Alkyl-4′-Alkoxy-biphenyl-4-carboxylates were investigated as Langmuir monolayers at the air/ water interface and as Langmuir-Blodgett (LB) films on solid supports. All five compounds form stable monolayers at the air/water interface and can be transferred onto solid supports yielding LB-films, whose structures and kinetic behavior strongly depend on the headgroup. The structures of the LB-films were investigated by means of optical textures and X-ray diffraction and compared with the structures of the corresponding bulk phases which were investigated by means of Differential Scanning Calorimetry and X-ray powder diffraction. The LB-films of the acid and the two methyl esters exhibit …
Human neuroglobin: crystals and preliminary X-ray diffraction analysis
2002
Neuroglobin, a recently discovered member of the haemoglobin superfamily, is primarily expressed in the brain of humans and other vertebrates, where it has been proposed to enhance O(2) supply in response to hypoxia or ischaemia, protecting the neuron from hypoxic injury. Neuroglobin is the first example of a vertebrate haemoglobin in which a hexacoordinate haem geometry has been detected. A triple mutant (replacing three Cys residues) of human neuroglobin (151 amino acids) has been expressed in Escherichia coli, purified and crystallized in two crystal forms, the best of which diffracts to 1.95 A resolution using synchrotron radiation. The crystals belong to space group P2(1), with unit-ce…
Crystal structure and magnetic properties of the single-μ-chloro copper(II) chain [Cu(bipy)Cl2] (bipy = 2,2′-bipyridine)
1999
Abstract The crystal and molecular structure of the copper(II) chain [Cu(bipy)Cl2] (1) (bipy = 2,2′-bipyridine) has been determined by X-ray diffraction methods. The crystal structure of 1 consists of neutral single chloro-bridged copper(II) chains with alternating short and long Cu–Cl distances through a screw axis parallel to a. The copper surrounding is best described as distorted square pyramidal, the equatorial plane being built by the two nitrogen atoms of the chelating bipy and two chlorine atoms (one terminal and the other bridging), whereas the apical position is filled by the bridging chlorine atom from the symmetry-related adjacent unit. The equatorial Cu–Cl bonds (2.291(3) and 2…
Bile acid–amino acid ester conjugates: gelation, structural properties, and thermoreversible solid to solid phase transition
2010
Design, synthesis, and gelation properties of three novel biocompatible bile acid–L-methionine methyl ester conjugates are presented. Two of the conjugates have been shown to undergo self-assembly leading to organogelation in certain aromatic solvents. The properties of these gels have been investigated by conventional methods typical for molecular gel studies along with 13C CPMAS NMR spectroscopic studies of the native gel. In addition, properties in solid and solution states for all three compounds have been investigated, and single crystal X-ray structures of all compounds determined. Furthermore, powder X-ray diffraction studies have revealed that compound 1 undergoes a dynamic and reve…