Search Results
Crystal structure of diethyl (E)-2-[(benzofuran-2-yl)methylidene]succinate
2015, Schirmer, Marie-Luis, Spannenberg, Anke, Werner, Thomas
The title compound, C17H18O5, was synthesized by a base-free catalytic Wittig reaction. The molecule consists of a diethyl itaconate unit, which is connected via the C=C double bond to a benzofuran moiety. The benzofuran ring system (r.m.s. deviation = 0.007 Å) forms dihedral angles of 79.58 (4) and 12.12 (10)° with the mean planes through the cis and trans ethoxycarbonyl groups, respectively. An intramolecular C-H...O hydrogen bond involving the O atom of the benzofuran moiety is observed. In the crystal, molecules are linked into ribbons running parallel to the b axis by C-H...O hydrogen bonds.
Crystal structure of bis{μ2-[(2-iminocyclopentylidene)methylidene]azanido-κ2 N:N'}bis[(η5-pentamethylcyclopentadienyl)zirconium(IV)] hexane monosolvate
2015, Becker, Lisanne, Spannenberg, Anke, Arndt, Perdita, Rosenthal, Uwe
The title compound, [Zr2(C10H15)4(C6H6N2)2]·C6H14, was obtained by the stoichiometric reaction of adiponitrile with [Zr(C10H15)2([eta]2-Me3SiC2SiMe3)]. Intramolecular nitrile-nitrile couplings and deprotonation of the substrate produced the (1-imino-2-enimino)cyclopentane ligand, which functions as a five-membered bridge between the two metal atoms. The ZrIV atom exhibits a distorted tetrahedral coordination sphere defined by two pentamethylcyclopentadienyl ligands, by the imino unit of one (1-imino-2-enimino)cyclopentane and by the enimino unit of the second (1-imino-2-enimino)cyclopentane. The cyclopentane ring of the ligand shows an envelope conformation. The asymmetric unit contains one half of the complex and one half of the hexane solvent molecule, both being completed by the application of inversion symmetry. One of the pentamethylcyclopentadienyl ligands is disordered over two sets of sites with a refined occupancy ratio of 0.8111 (3):0.189 (3). In the crystal, the complex molecules are packed into rods extending along [100], with the solvent molecules located in between. The rods are arranged in a distorted hexagonal packing.
Crystal structure of (E)-undec-2-enoic acid
2015, Sonneck, Marcel, Peppel, Tim, Spannenberg, Anke, Wohlrab, Sebastian
In the molecule of the title low-melting [alpha],[beta]-unsaturated carboxylic acid, C11H20O2, the least-squares mean line through the octyl chain forms an angle of 60.10 (13)° with the normal to plane of the acrylic acid fragment (r.m.s. deviation = 0.008 Å). In the crystal, centrosymmetrically related molecules are linked by pairs of O-H...O hydrogen bonds into dimers, forming layers parallel to the (041) plane.
Influence of microwave plasma treatment on the surface properties of carbon fibers and their adhesion in a polypropylene matrix
2016, Scheffler, C., Wölfel, E., Förster, T., Poitzsch, C., Kotte, L., Mäder, G., Madsen, Bo, Biel, A., Kusano, Y., Lilholt, H., Mikkelsen, L.P., Mishnaevsky Jr., L., Sørensen, B.F.
A commercially available carbon fiber (CF) with an epoxy-based sizing (EP-sized CF) and an unsized CF have been plasma treated to study the effect on the fiber-matrix adhesion towards a polypropylene matrix. The EP-sized fiber was chosen because of its predictable low adhesion in a polypropylene (PP) matrix. The fibers have been modified using a microwave low-pressure O2/CO2/N2-gas plasma source (Cyrannus®) developed at IWS in a batch process. One aim of this study was the evaluation of parameters using high energies and short time periods in the plasma chamber to see the effect on mechanical performance of CF. These results will be the fundamental work for a planned continuous plasma modification line. The CF surface was characterized by determining the surface energies, single fiber tensile strength and XPS analysis. The adhesion behavior before and after plasma treatment was studied by single fiber pull-out test (SFPO) and scanning electron microscopy (SEM). It was shown that the CO2- and O2-plasma increases the number of functional groups on the fiber surface during short time plasma treatment of 30 s. Carboxylic groups on the unsized CF surface resulting from O2-plasma treatment lead to an enhanced fiber-matrix adhesion, whereas the fiber strength was merely reduced.
Mineral dust in Central Asia: Combining lidar and other measurements during the Central Asian dust experiment (CADEX)
2018, Althausen, Dietrich, Hofer, Julian, Abdullaev, Sabur, Makhmudov, Abduvosit, Baars, Holger, Engelmann, Ronny, Wadinga Fomba, Khanneh, Müller, Konrad, Schettler, Georg, Klüser, Lars, Kandler, Konrad, Nicolae, D., Makoto, A., Vassilis, A., Balis, D., Behrendt, A., Comeron, A., Gibert, F., Landulfo, E., McCormick, M.P., Senff, C., Veselovskii, I., Wandinger, U.
Mineral dust needs to be characterized comprehensively since it contributes to the climate change in Tajikistan / Central Asia. Lidar results from the measurements of mineral dust during CADEX are compared with results of sun photometer measurements, satellite-based measurements, and chemical analysis of ground samples. Although the dust is often advected from far-range sources, it impacts on the local conditions considerably.
Phonon-Polaritonic Bowtie Nanoantennas: Controlling Infrared Thermal Radiation at the Nanoscale
2017, Wang, Tao, Li, Peining, Chigrin, Dmitry N., Giles, Alexander J., Bezares, Francisco J., Glembocki, Orest J., Caldwell, Joshua D., Taubner, Thomas
A conventional thermal emitter exhibits a broad emission spectrum with a peak wavelength depending upon the operation temperature. Recently, narrowband thermal emission was realized with periodic gratings or single microstructures of polar crystals supporting distinct optical modes. Here, we exploit the coupling of adjacent phonon-polaritonic nanostructures, demonstrating experimentally that the nanometer-scale gaps can control the thermal emission frequency while retaining emission line widths as narrow as 10 cm-1. This was achieved by using deeply subdiffractional bowtie-shaped silicon carbide nanoantennas. Infrared far-field reflectance spectroscopy, near-field optical nanoimaging, and full-wave electromagnetic simulations were employed to prove that the thermal emission originates from strongly localized surface phonon-polariton resonances of nanoantenna structures. The observed narrow emission line widths and exceptionally small modal volumes provide new opportunities for the user-design of near- and far-field radiation patterns for advancements in infrared spectroscopy, sensing, signaling, communications, coherent thermal emission, and infrared photodetection. © 2017 American Chemical Society.
Crystal structures of two ansa-titanocene tri-fluoro-methane-sulfonate complexes bearing the Me2Si(C5Me4)2 ligand
2016, Kessler, Monty, Godemann, Christian, Spannenberg, Anke, Beweries, Torsten
The crystal structures of two ansa-titanocene tri-fluoro-methane-sulfonate complexes bearing the Me2Si(C5Me4)2 ligand are reported, namely [di-methylbis-(η5-tetra-methyl-cyclo-penta-dien-yl)silane](tri-fluoro-methane-sulfonato-κ2O,O')titanium(III) toluene monosolvate, [Ti(CF3O3S)(C20H30Si)]·C7H8, 1, and chlorido-[di-methyl-bis-(η5-tetra-methyl-cyclo-penta-dien-yl)silane](tri-fluoro-methane-sulfonato-κO)titanium(IV), [Ti(CF3O3S)(C20H30Si)Cl], 2. Both complexes display a bent metallocene unit, the metal atom being coordinated in a distorted tetra-hedral geometry, with the tri-fluoro-methane-sulfonate anion acting as a bidentate or monodentate ligand in 1 and 2, respectively. In 1, weak π-π stacking inter-actions involving the toluene solvent mol-ecules [centroid-to-centroid distance = 3.9491 (11) Å] are observed.
Las Pailas geothermal field - Central America case study: Deciphering a volcanic geothermal play type through the combination of optimized geophysical exploration methods and classic geological conceptual models of volcano-tectonic systems
2019, Salguero, Leonardo Solís, Rioseco, Ernesto Meneses
Sustainable exploitation strategies of high-enthalpy geothermal reservoirs in a volcanic geothermal play type require an accurate understanding of key geological structures such as faults, cap rock and caldera boundaries. Of same importance is the recognition of possible magmatic body intrusions and their morphology, whether they are tabular like dikes, layered like sills or domes. The relative value of those magmatic bodies, their age, shape and location rely on the role they play as possible local heat sources, hydraulic barriers between reservoir compartments, and their far-reaching effect on the geochemistry and dynamics of fluids. Obtaining detailed knowledge and a more complete understanding at the early stages of exploration through integrated geological, geophysical and geochemical methods is essential to determine promising geothermal drilling targets for optimized production/re-injection schemes and for the development of adequate exploitation programs. Valuable, extensive geophysical data gathered at Las Pailas high-enthalpy geothermal field at northwestern Costa Rica combined with detailed understanding of the geological structures in the underground may represent a sound basis for an in-depth geoscientific discussion on this topic. Currently, the German cooperation for the identification of geothermal resources in Central America, implemented by the Federal Institute for Geosciences and Natural Resources (BGR), supports an international and interdisciplinary effort, driven by the Instituto Costarricense de Electricidad (ICE) with different international and national research institutions, including the Leibniz Institute for Applied Geophysics (LIAG). The discussions and joint studies refer to the optimized utilization of geophysical and geological methods for geothermal exploration in the Central American region, using the example of Las Pailas Geothermal Field. The results should contribute to a better understanding of the most appropriate geothermal exploration concepts for complex volcanic field settings in Central America.
Crystal structure of (E)-dodec-2-enoic acid
2015, Sonneck, Marcel, Peppel, Tim, Spannenberg, Anke, Wohlrab, Sebastian
The crystal structure of (E)-dodec-2-enoic acid, C12H22O2, an [alpha],[beta]-unsaturated carboxylic acid with a melting point (295 K) near room temperature, is characterized by carboxylic acid inversion dimers linked by pairs of O-H...O hydrogen bonds. The carboxylic acid group and the following three carbon atoms of the chain of the (E)-dodec-2-enoic acid molecule lie almost in one plane (r.m.s. deviation for the four C atoms and two O atoms = 0.012 Å), whereas the remaining carbon atoms of the hydrocarbon chain adopt a nearly fully staggered conformation [moduli of torsion angles vary from 174.01 (13) to 179.97 (13)°].
Crystal structure of di-n-butylbis([eta]5-pentamethylcyclopentadienyl)hafnium(IV)
2015, Arndt, Perdita, Schubert,Kathleen, Burlakov, Vladimir V., Spannenberg, Anke, Rosenthal, Uwe
The crystal structure of the title compound, [Hf(C10H15)2(C4H9)2], reveals two independent molecules in the asymmetric unit. The diffraction experiment was performed with a racemically twinned crystal showing a 0.529 (5):0.471 (5) component ratio. Each HfIV atom is coordinated by two pentamethylcyclopentadienyl and two n-butyl ligands in a distorted tetrahedral geometry, with the cyclopentadienyl rings inclined to one another by 45.11 (15) and 45.37 (16)°. In contrast to the isostructural di(n-butyl)bis([eta]5-pentamethylcyclopentadienyl)zirconium(IV) complex with a noticeable difference in the Zr-butyl bonding, the Hf-Cbutyl bond lengths differ from each other by no more than 0.039 (3) Å.