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- Item2-hydroxyethylammonium iodide(Chester : International Union of Crystallography, 2014) Kohrt, C.; Spannenberg, A.; Werner, T.In the crystal structure of the title salt, C2H 8NO+·I-, N-H⋯O, N-H⋯I and O-H⋯I hydrogen bonds lead to the formation of layers staggered along the c axis.
- ItemCrystal structure of diethyl (E)-2-[(benzofuran-2-yl)methylidene]succinate(Chester : International Union of Crystallography, 2015) Schirmer, Marie-Luis; Spannenberg, Anke; Werner, ThomasThe 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.
- Item{N,N-Bis[bis(2,2,2-trifluoroethoxy)phosphanyl]methylamine- κ2 P,P′}bis(η5-cyclopentadienyl) titanium(II)(Chester : International Union of Crystallography, 2013) Haehnel, M.; Hansen, S.; Spannenberg, A.; Beweries, T.The title compound, [Ti(C5H5)2(C 9H11F12NO4P2)], is a four-membered titanacycle obtained from the reaction of Cp2Ti(η 2-Me3SiC2SiMe3) and CH 3N[P(OCH2CF3)2]2 {N,N-bis[bis(trifluoroethoxy)phosphanyl]methylamine, tfepma}. The Ti II atom is coordinated by two cyclopentadienyl (Cp) ligands and the chelating tfepma ligand in a strongly distorted tetrahedral geometry. The molecule is located on a mirror plane.
- ItemDicyclohexylbis(naphthalen-1-ylmethyl)phosphonium chloride chloroform disolvate(Chester : International Union of Crystallography, 2012) Gowrisankar, S.; Neumann, H.; Spannenberg, A.; Beller, M.In the title solvated phosphonium salt, C34H40P+·Cl -·2CHCl3, the two cyclohexyl and two 1-naphthylmethyl groups at the P atom are in a distorted tetrahedral arrangement [105.26 (6)-113.35 (6)°]. Both cyclohexyl rings adopt a chair conformation. The dihedral angle between the naphthyl ring systems is 74.08 (3)°.
- ItemDicarbonyl-{3,3′-di-tert-butyl-5,5′-di-methoxy-2, 2′-bis[(4,4,5,5-tetraphenyl-1,3,2-dioxaphospho-lan-2-yl)-oxy-κP] biphen-yl}hydridorhodium(I) diethyl ether monosolvate(Chester : International Union of Crystallography, 2012) Selent, D.; Spannenberg, A.; Börner, A.In the title compound, [Rh(C 74H 68O 8P2)H(CO) 2]·C 4H 10O, the C 2HP 2 coordination set at the Rh I ion is arranged in a distorted trigonal-planar geometry with one P atom of the diphosphite mol-ecule and the H atom adopting the axial coordination sites.
- Item2,4-Bis(diphenyl-phosphan-yl)-1,1,2,3,3,4-hexa-phenyl-1,3-diphospha-2, 4-dibora-cyclo-butane tetra-hydro-furan sesqui-solvate(Chester : International Union of Crystallography, 2012) Peulecke, N.; Müller, B.H.; Spannenberg, A.; Rosenthal, U.In the title compound, C60H50B2P 4·1.5C4H8O, the diphospha-diborane mol-ecule lies on an inversion centre, whereas the disordered tetra-hydro-furan solvent mol-ecule is in a general position with a partial occupancy of 0.75. The diphosphadiborane mol-ecule consists of an ideal planar four-membered B 2P2 ring with an additional phenyl and a-PPH2 group attached to each B atom.
- Item(Cyanido-κC)(2,2-diphenylacetamido-κ2 N,O)bis(η5-pentamethylcyclopentadienyl)zirconium(IV)(Chester : International Union of Crystallography, 2014) Becker, L.; Spannenberg, A.; Arndt, P.; Rosenthal, U.In the title compound, [Zr(C10H15)2(C14H12NO)(CN)], the ZrIV atom is coordinated by two pentamethylcyclopentadienyl ligands, the amidate ligand via the N and O atoms, and an additional C N ligand. The four-membered metallacycle is nearly planar (r.m.s. deviation = 0.008Å). In the crystal, the molecules are connected into centrosymmetric dimers via pairs of N - HN hydrogen bonds.
- ItemChanges of snow cover in Poland(Heidelberg : Springer, 2017) Szwed, Małgorzata; Pin´skwar, Iwona; Kundzewicz, Zbigniew W.; Graczyk, Dariusz; Mezghani, AbdelkaderThe present paper examines variability of characteristics of snow cover (snow cover depth, number of days with snow cover and dates of beginning and end of snow cover) in Poland. The study makes use of a set of 43 long time series of observation records from the stations in Poland, from 1952 to 2013. To describe temporal changes in snow cover characteristics, the intervals of 1952–1990 and of 1991–2013 are compared and trends in analysed data are sought (e.g., using the Mann–Kendall test). Observed behaviour of time series of snow-related variables is complex and not easy to interpret, for instance because of the location of the research area in the zone of transitional moderate climate, where strong variability of climate events is one of the main attributes. A statistical link between the North Atlantic Oscillation (NAO) index and the snow cover depth, as well as the number of snow cover days is found.
- ItemWhat can we learn from the projections of changes of flow patterns? Results from Polish case studies(Heidelberg : Springer, 2017) Piniewski, Mikołaj; Meresa, Hadush Kidane; Romanowicz, Renata; Osuch, Marzena; Szczes´niak, Mateusz; Kardel, Ignacy; Okruszko, Tomasz; Mezghani, Abdelkader; Kundzewicz, Zbigniew W.River flow projections for two future time horizons and RCP 8.5 scenario, generated by two projects (CHASE-PL and CHIHE) in the Polish-Norwegian Research Programme, were compared. The projects employed different hydrological models over different spatial domains. The semi-distributed, process-based, SWAT model was used in the CHASE-PL project for the entire Vistula and Odra basins area, whilst the lumped, conceptual, HBV model was used in the CHIHE project for eight Polish catchments, for which the comparison study was made. Climate projections in both studies originated from the common EURO-CORDEX dataset, but they were different, e.g. due to different bias correction approaches. Increases in mean annual and seasonal flows were projected in both studies, yet the magnitudes of changes were largely different, in particular for the lowland catchments in the far future. The HBV-based increases were significantly higher in the latter case than the SWAT-based increases in all seasons except winter. Uncertainty in projections is high and creates a problem for practitioners.
- ItemStructure-property relationships in nanoporous metallic glasses(Amsterdam [u.a.] : Elsevier Science, 2016) Şopu, D.; Soyarslan, C.; Sarac, B.; Bargmann, S.; Stoica, M.; Eckert, J.We investigate the influence of various critical structural aspects such as pore density, distribution, size and number on the deformation behavior of nanoporous Cu64 Zr36 glass. By using molecular dynamics and finite element simulations an effective strategy to control the strain localization in nanoporous heterostructures is provided. Depending on the pore distribution in the heterostructure, upon tensile loading the nanoporous glass showed a clear transition from a catastrophic fracture to localized deformation in one dominant shear band, and ultimately to homogeneous plastic flow mediated by a pattern of multiple shear bands. The change in the fracture mechanism from a shear band slip to necking-like homogeneous flow is quantitative interpreted by calculating the critical shear band length. Finally, we identify the most effective heterostructure with enhanced ductility as compared to the monolithic bulk metallic glass. The heterostructure with a fraction of pores of about 3% distributed in such a way that the pores do not align along the maximum shear stress direction shows higher plasticity while retaining almost the same strength as the monolithic glass. Our results provide clear evidence that the mechanical properties of nanoporous glassy materials can be tailored by carefully controlling the design parameters.