10 results
Search Results
Now showing 1 - 10 of 10
- ItemCrystal structure of (E)-dodec-2-enoic acid(Chester : International Union of Crystallography, 2015) Sonneck, Marcel; Peppel, Tim; Spannenberg, Anke; Wohlrab, SebastianThe crystal structure of (E)-dodec-2-enoic acid, C12H22O2, an [alpha],[beta]-unsaturated carbÂoxyÂlic acid with a melting point (295 K) near room temperature, is characterized by carbÂoxyÂlic acid inversion dimers linked by pairs of O-H...O hydrogen bonds. The carbÂoxyÂlic acid group and the following three carbon atoms of the chain of the (E)-dodec-2-enoic acid molÂecule lie almost in one plane (r.m.s. deviation for the four C atoms and two O atoms = 0.012 Ã…), whereas the remaining carbon atoms of the hydroÂcarbon chain adopt a nearly fully staggered conformation [moduli of torsion angles vary from 174.01 (13) to 179.97 (13)°].
- ItemCrystal structure of (E)-undec-2-enoic acid(Chester : International Union of Crystallography, 2015) Sonneck, Marcel; Peppel, Tim; Spannenberg, Anke; Wohlrab, SebastianIn the molÂecule of the title low-melting [alpha],[beta]-unsaturated carbÂoxyÂlic 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 Ã…). In the crystal, centrosymmetrically related molÂecules are linked by pairs of O-H...O hydrogen bonds into dimers, forming layers parallel to the (041) plane.
- ItemCrystal structure of (E)-hex-2-enoic acid(Chester : International Union of Crystallography, 2015) Peppel, Tim; Sonneck, Marcel; Spannenberg, Anke; Wohlrab, SebastianThe crystal structure of the title compound, C6H10O2, an [alpha],[beta]-unsaturated carbÂoxyÂlic acid, displays carbÂoxyÂlic acid inversion dimers linked by pairs of O-H...O hydrogen bonds. The packing is characterized by layers of acid dimers. All the non-H atoms of the (E)-hex-2-enoic acid molÂecule lie almost in the same plane (r.m.s. deviation for the non-H atoms = 0.018 Ã…).
- ItemCrystal structure of (E)-pent-2-enoic acid(Chester : International Union of Crystallography, 2015) Peppel, Tim; Sonneck, Marcel; Spannenberg, Anke; Wohlrab, SebastianThe molÂecule of the title compound, C5H8O2, a low-melting [alpha],[beta]-unsaturated carbÂoxyÂlic acid, is essentially planar [maximum displacement = 0.0239 (13) Ã…]. In the crystal, molÂecules are linked into centrosymmetric dimers via pairs of O-H...O hydrogen bonds.
- ItemSynthesis and molecular structures of the lowest melting odd- and even-numbered a,b-unsaturated carboxylic acids—(E)-hept-2-enoic acid and (E)-oct-2-enoic acid(Basel : MDPI, 2016) Sonneck, Marcel; Spannenberg, Anke; Wohlrab, Sebastian; Peppel, TimThe molecular structures of the two lowest melting odd- and even-numbered α,β-unsaturated carboxylic acids—(E)-hept-2-enoic acid (C7) and (E)-oct-2-enoic acid (C8)—are herein reported. The title compounds were crystallized by slow evaporation of ethanolic solutions at −30 °C. C7 crystallizes in the triclinic space group P1¯ with two molecules in the unit cell and C8 in the monoclinic space group C2/c with eight molecules in the unit cell. The unit cell parameters for C7 are: a = 5.3049(2) Å, b = 6.6322(3) Å, c = 11.1428(5) Å, α = 103.972(3)°, β = 97.542(3)°, γ = 90.104(3)°, and V = 376.92(3) Å3 (T = 150(2) K). The unit cell parameters for C8 are: a = 19.032(10) Å, b = 9.368(5) Å, c = 11.520(6) Å, β = 123.033(11)°, and V = 1721.80(16) Å3 (T = 200(2) K).
- ItemCharacterization and effect of Ag(0) vs. Ag(I) species and their localized plasmon resonance on photochemically inactive TiO 2(Basel : MDPI, 2019) Handoko, Chanel Tri; Moustakas, Nikolaos G.; Peppel, Tim; Springer, Armin; Oropeza, Freddy E.; Huda, Adri; Bustan, Muhammad Djoni; Yudono, Bambang; Gulo, Fakhili; Strunk, JenniferCommercial TiO 2 (anatase) was successfully modified with Ag nanoparticles at different nominal loadings (1%-4%) using a liquid impregnation method. The prepared materials retained the anatase structure and contained a mixture of Ag 0 and Ag I species. Samples exhibited extended light absorption to the visible region. The effect of Ag loading on TiO 2 is studied for the photocatalytic reduction of CO 2 to CH 4 in a gas-solid process under high-purity conditions. It is remarkable that the reference TiO 2 used in this work is entirely inactive in this reaction, but it allows for studying the effect of Ag on the photocatalytic process in more detail. Only in the case of 2% Ag/TiO 2 was the formation of CH 4 from CO 2 observed. Using different light sources, an influence of the localized surface plasmon resonance (LSPR) effect of Ag is verified. A sample in which all Ag has been reduced to the metallic state was less active than the respective sample containing both Ag 0 and Ag + , indicating that a mixed oxidation state is beneficial for photocatalytic performance. These results contribute to a better understanding of the effect of metal modification of TiO 2 in photocatalytic CO 2 reduction. © 2019 by the authors. Licensee MDPI, Basel, Switzerland.
- ItemLow-melting manganese(II)-based ionic liquids: Syntheses, structures, properties and influence of trace impurities(Basel : MDPI, 2019) Peppel, Tim; Geppert-Rybczyńska, Monika; Neise, Christin; Kragl, Udo; Köckerling, MartinThe synthesis of more than 10 new magnetic ionic liquids with [MnX4]2− anions, X = Cl, NCS, NCO, is presented. Detailed structural information through single-crystal X-ray diffraction is given for (DMDIm)[Mn(NCS)4], (BnEt3N)2[Mn(NCS)4], and {(Ph3P)2N}2[Mn(NCO4)]·0.6H2O, respectively. All compounds consist of discrete anions and cations with tetrahedrally coordinated Mn(II) atoms. They show paramagnetic behavior as expected for spin-only systems. Melting points are found for several systems below 100 °C classifying them as ionic liquids. Thermal properties are investigated using differential scanning calorimetry (DSC) measurements. The physicochemical properties of density, dynamic viscosity, electrolytic conductivity, and surface tension were measured temperature-dependent of selected samples. These properties are discussed in comparison to similar Co containing systems. An increasing amount of bromide impurity is found to affect the surface tension only up to 3.3%.
- ItemJudging the feasibility of TiO2 as photocatalyst for chemical energy conversion by quantitative reactivity determinants(Cambridge : RSC Publ., 2019) Dilla, Martin; Moustakas, Nikolaos G.; Becerikli, Ahmet E.; Peppel, Tim; Springer, Armin; Schlögl, Robert; Strunk, Jennifer; Ristig, SimonIn this study we assess the general applicability of the widely used P25-TiO2 in gas-phase photocatalytic CO2 reduction based on experimentally determined reactivity descriptors from classical heterogeneous catalysis (productivity) and photochemistry (apparent quantum yield/AQY). A comparison of the results with reports on the use of P25 for thermodynamically more feasible reactions and our own previous studies on P25-TiO2 as photocatalyst imply that the catalytic functionality of this material, rather than its properties as photoabsorber, limits its applicability in the heterogeneous photocatalytic CO2 reduction in the gas phase. The AQY of IrOx/TiO2 in overall water splitting in a similar high-purity gas-solid process was four times as high, but still far from commercial viability.
- Item3,3′-Dimethyl-1,1′-methylÂenediimidazolium tetraÂbromidoÂcobaltate(II)(Chester : IUCr, 2018) Peppel, Tim; Spannenberg, AnkeThe title compound, (C9H14N4)[CoBr4], was obtained as single crystals directly in very low yield as a side product in the reaction of 1,1′-bisÂ(1-methylÂimidazolium)acetate bromide and CoBr2. The title compound consists of an imidazolium-based dication and a tetraÂbromidoÂcobaltate(II) complex anion, which are connected via C—H...Br interÂactions in the crystal. The dihedral angle between the imidazolium rings in the cation is 72.89 (16)°. The CoII ion in the anion is coordinated tetraÂhedrally by four bromide ligands [Co—Br = 2.4025 (5)–2.4091 (5) Å and Br—Co—Br = 106.224 (17)–113.893 (17)°]. The compound exhibits a high melting point (>300°C) and is a light-blue solid under ambient conditions.
- ItemCombination of chemo- and biocatalysis: Conversion of biomethane to methanol and formic acid(Basel : MDPI, 2019) Kunkel, Benny; Seeburg, Dominik; Peppel, Tim; Stier, Matthias; Wohlrab, SebastianIn the present day, methanol is mainly produced from methane via reforming processes, but research focuses on alternative production routes. Herein, we present a chemo-/biocatalytic oxidation cascade as a novel process to currently available methods. Starting from synthetic biogas, in the first step methane was oxidized to formaldehyde over a mesoporous VOx/SBA-15 catalyst. In the second step, the produced formaldehyde was disproportionated enzymatically towards methanol and formic acid in equimolar ratio by formaldehyde dismutase (FDM) obtained from Pseudomonas putida. Two processing routes were demonstrated: (a) batch wise operation using free formaldehyde dismutase after accumulating formaldehyde from the first step and (b) continuous operation with immobilized enzymes. Remarkably, the chemo-/biocatalytic oxidation cascades generate methanol in much higher productivity compared to methane monooxygenase (MMO) which, however, directly converts methane. Moreover, production steps for the generation of formic acid were reduced from four to two stages. © 2019 by the authors.