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search.filters.applied.f.access: openAccess × Start date: 2011 × DDC: 540 × WGL Institute: LIKAT ×

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Now showing 1 - 10 of 297
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    2-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.
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    Tris(η5-cyclopentadienyl)hafnium(III)
    (Chester : International Union of Crystallography, 2011) Burlakov, V.V.; Arndt, P.; Spannenberg, A.; Rosenthal, U.
    In the crystal structure of the title compound, [Hf(C5H 5)3], three cyclopentadienyl ligands surround the Hf III atom in a trigonal-planar geometry. The molecule lies on a sixfold inversion axis.
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    {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.
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    Dicyclohexylbis(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)°.
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    Intermolecular hydrogen bonding in isostructural pincer complexes [OH-(t-BuPOCOPt-Bu)MCl] (M = Pd and Pt)
    (Chester : International Union of Crystallography, 2019) Joksch, M.; Spannenberg, A.; Beweries, T.
    In the crystal structure of the isostructural title compounds, namely {2,6-bis[(di-tert-butylphosphanyl)oxy]-4-hydroxyphenyl}chloridopalladium(II), [Pd(C22H39O3P2)Cl], 1, and {2,6-bis[(di-tert-butylphosphanyl)oxy]-4-hydroxyphenyl}chloridoplatinum(II), [Pt(C22H39O3P2)Cl], 2, the metal centres are coordinated in a distorted square-planar fashion by the POCOP pincer fragment and the chloride ligand. Both complexes form strong hydrogen-bonded chain structures through an interaction of the OH group in the 4-position of the aromatic POCOP backbone with the halide ligand.
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    Dicarbonyl-{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.
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    2,4-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.
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    Ethyl 4-chloro-2′-fluoro-3-hydroxy-5-methylbiphenyl-2-carboxylate
    (Chester : International Union of Crystallography, 2011) Adeel, M.; Langer, P.; Villinger, A.
    In the title compound, C 16H 14ClFO 3, the dihedral angle between the mean planes of the two benzene rings is 71.50 (5)°. Due to an intramolecular O - H⋯O hydrogen bond between the hydroxy group and the carbonyl O atom of the ethyl ester group, the ethyl ester group lies within the ring plane. The crystal structure is consolidated by intermolecular C - H⋯O and C - H⋯F interactions.
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    (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.
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    Ni-In Synergy in CO2Hydrogenation to Methanol
    (Washington, DC : ACS Publications, 2021) Zhu, Jiadong; Cannizzaro, Francesco; Liu, Liang; Zhang, Hao; Kosinov, Nikolay; Filot, Ivo A.W.; Rabeah, Jabor; Brückner, Angelika; Hensen, Emiel J.M.
    Indium oxide (In2O3) is a promising catalyst for selective CH3OH synthesis from CO2but displays insufficient activity at low reaction temperatures. By screening a range of promoters (Co, Ni, Cu, and Pd) in combination with In2O3using flame spray pyrolysis (FSP) synthesis, Ni is identified as the most suitable first-row transition-metal promoter with similar performance as Pd-In2O3. NiO-In2O3was optimized by varying the Ni/In ratio using FSP. The resulting catalysts including In2O3and NiO end members have similar high specific surface areas and morphology. The main products of CO2hydrogenation are CH3OH and CO with CH4being only observed at high NiO loading (≥75 wt %). The highest CH3OH rate (∼0.25 gMeOH/(gcath), 250 °C, and 30 bar) is obtained for a NiO loading of 6 wt %. Characterization of the as-prepared catalysts reveals a strong interaction between Ni cations and In2O3at low NiO loading (≤6 wt %). H2-TPR points to a higher surface density of oxygen vacancy (Ov) due to Ni substitution. X-ray photoelectron spectroscopy, X-ray absorption spectroscopy, and electron paramagnetic resonance analysis of the used catalysts suggest that Ni cations can be reduced to Ni as single atoms and very small clusters during CO2hydrogenation. Supportive density functional theory calculations indicate that Ni promotion of CH3OH synthesis from CO2is mainly due to low-barrier H2dissociation on the reduced Ni surface species, facilitating hydrogenation of adsorbed CO2on Ov © 2021 The Authors. Published by American Chemical Society