Search results for "Crystal"
showing 10 items of 22886 documents
Methyl 3',4',5'-trimethoxybiphenyl-4-carboxylate
2013
In the title compound, C17H18O5, the dihedral angle between the benzene rings is 31.23 (16)°. In the crystal, the molecules are packed in an antiparallel fashion in layers along the a axis. In each layer, very weak C-H...O hydrogen bonds occur between the methoxy and methyl ester groups. Weak C-H...[pi] interactions between the 4'- and 5'-methoxy groups and neighbouring benzene rings [methoxy-C-ring centroid distances = 4.075 and 3.486 Å, respectively] connect the layers.
Poly[[myy-N,N'-bis(2-hydroxyethyl)-N,N,N',N'-tetramethylpropane-1,3-diaminium-kappa2O:O']tetra-myy-bromido-dibromidodimanganese(II)]
2012
The asymmetric unit of the title three-dimensional coordination polymer, [Mn2Br6(C11H28N2O2)]n, consists of one MnII cation, half of a dicationic N,N0 -bis(2-hydroxyethyl)- N,N,N0 ,N0 -tetramethylpropane-1,3-diaminium ligand (L) (the other half being generated by a twofold rotation axis), and three bromide ions. The MnII cation is coordinated by a single L ligand via the hydroxy O atom and by five bromide ions, resulting in a distorted octahedral MnBr5O coordination geometry. Four of the bromide ions are bridging to two adjacent MnII atoms, thereby forming polymeric chains along the a and b axes. The L units act as links between neighbouring Mn—(-Br)2—Mn chains, also forming a polymeric con…
1,1,4,4-Tetramethylpiperazinediium dibromide
2009
A small quantity of the title compound, C8H20N22+·2Br−, was formed as a by-product in a reaction between a diamine and an alkyl bromide. The asymmetric unit contains half of a centrosymmetric dication and a bromide anion. In the crystal, weak intermolecular C—H...Br hydrogen bonds consolidate the crystal packing.
MbCo in Saccharide Solid Amorphous Systems: A Combined FTIR and SAXS Study
2011
Saccharides, and in particular trehalose, are known for their efficiency in protecting biostructures against environmental stress [1], although the preservation mechanism is still debated. Experiments and simulations [2,3] on carboxy-myoglobin (MbCO) showed that the protein dynamics is highly inhibited in dry trehalose matrices, the inhibition being dependent on the water content. In these conditions, a mutual protein-matrix structural and dynamic influence is observed.Here we report a combined FTIR and SAXS study on MbCO embedded in dry amorphous matrices of trehalose and sucrose. FTIR measurements were performed at different protein/sugar ratios, focussing on the stretching band of the bo…
Controlling the crystal growth of potassium iodide with a 1,1'-bis(pyridin-4-ylmethyl)-2,2'-biimidazole ligand (L) – formation of a linear [K4I4L4]n …
2018
The crystal growth of potassium iodide was controlled by using the neutral organic 1,1′-bis(pyridin-4-ylmethyl)-2,2′-biimidazole (L) ligand as a modifier. The selected modifier allows the preservation of original cubic [K4I4] units and their arrangement into a linear ligand-supported 1D chain. The supported [K4I4] cubes are only slightly distorted compared to the cubes found in pure KI salt. The N–K binding of the ligand to the KI salt, as well as weak I⋯H, N⋯H, and N⋯I interactions, stabilizes the structure to create a unique 1D polymer of neutral potassium iodide ionic salt inside the [K4I4L4]n complex.
Experimental Observation of a Large Low-Frequency Band Gap in a Polymer Waveguide
2018
The quest for large and low-frequency band gaps is one of the principal objectives pursued in a number of engineering applications, ranging from noise absorption to vibration control, and to seismic wave abatement. For this purpose, a plethora of complex architectures (including multiphase materials) and multiphysics approaches have been proposed in the past, often involving difficulties in their practical realization. To address the issue of proposing a material design that enables large band gaps using a simple configuration, in this study we propose an easy-to-manufacture design able to open large, low-frequency complete Lamb band gaps exploiting a suitable arrangement of masses and stif…
Formation, Structural Characterization, and Calculated NMR Chemical Shifts of Selenium-Nitrogen Compounds from SeCl4 and ArNHLi (Ar = supermesityl, m…
2004
Supermesityl selenium diimide [Se{N(C6H2tBu3-2, 4, 6)}2; Se{N(mes*)}2] can be prepared in a good yield from the reaction of SeCl4 and (mes*)NHLi. The molecule adopts an unprecedented anti, anti-conformation, as deduced by DFT calculations at PBE0/TZVP level of theory and supported by 77Se NMR spectroscopy and a crystal structure determination. An analogous reaction involving (C6H2Me3-2, 4, 6)NHLi [(mes)NHLi] unexpectedly lead to the reduction of selenium and afforded the selenium diamide Se{NH(mes)}2 that was characterized by X-ray crystallography and 77Se NMR spectroscopy. The Se-N bonds of 1.847(3) and 1.852(3) A show normal single bond lengths. The <NSeN bond angle of 109.9(1)° also indi…
Fabrication of 3-D phononic crystals for thermal transport management
2016
Thermal transport is an important physical phenomenon, and it has recently become even more relevant for the reduction of energy losses and the increase of efficiency in novel devices based on thermoelectricity [1]. Significant reduction of thermal conduction was recently achieved by coherent modification of phonon modes [2], with the help of periodic phononic crystal structures. However, currently the experimental studies have only been performed for two-dimensional (2-D) nanostructures. Theoretically, the magnitude of control of thermal transport should be even stronger in three-dimensional (3-D) phononic crystal structures. For that reason, the question arises how to fabricate the desire…
Ionic self assembly in the design of fluorinated ionic liquid crystals (ILCs)
2011
Ionic liquid crystals are a class of compounds containing anions and cations, that combine the properties of liquid crystals and ionic liquids[1]. In the conventional design of ionic liquid crystalline compounds, an ionic core is connected with mesogenic groups via chemical covalent bonding . Alternatively, in ionic compounds, strong electrostatic interactions between cation and anion can be used to build up liquid crystalline order at supramolecular level. This general approach, called ionic self-assembly (ISA), allows one to create ionic phases and mesophases with highly organized supramolecular order [2]. In this context, a new series of fluorinated ionic liquids (ILs) and ionic liquid c…
Entrapment of a linear water pentamer into a uranyl-salophen dimer in the solid state
2019
In the solid state, uranyl-salophen complex 1, decorated with bipyridyl sidearms, self-assembles from moist acetonitrile into dimeric species displaying a confined water pentamer, as observed by X-...