We apply high-energy-resolution fluorescence-detected (HERFD) X-ray absorption near-edge structure (XANES) spectroscopy to study iron carbonyl complexes.
}}, author = {{Atkins, Andrew J. and Bauer, Matthias and Jacob, Christoph R.}}, issn = {{1463-9076}}, journal = {{Physical Chemistry Chemical Physics}}, keywords = {{Physical and Theoretical Chemistry, General Physics and Astronomy}}, number = {{21}}, pages = {{13937--13948}}, publisher = {{Royal Society of Chemistry (RSC)}}, title = {{{High-resolution X-ray absorption spectroscopy of iron carbonyl complexes}}}, doi = {{10.1039/c5cp01045d}}, volume = {{17}}, year = {{2015}}, } @article{25940, abstract = {{Metal–organic frameworks (MOFs) are crystalline microporous materials with tunable chemical and physical properties. By combining various metal clusters with different interconnecting organic linkers, the pore structure, crystallinity, as well as the surface properties can be modified. In the present work, modification of the organic linker molecules is utilized to synthesize CAU-10 type MOFs with variable affinity of the pore surface to water. In principle, this should influence the accessibility of the pores for water vapor and therefore offer a tool to control its sorption properties. For a deeper understanding we studied the water sorption characteristics and compared the results to the conductive and dielectric properties studied by impedance spectroscopy. Spectra in a wide frequency range from 1 mHz to 1 MHz were recorded. Data analysis is performed using the Havriliak–Negami model. The MOFs are also tested as sensitive layers for capacitive humidity sensing by correlating the change in permittivity of the materials with the amount of physisorbed water. Such an MOF-based sensor was tested with respect to environmental monitoring and compared to a commonly used commercial humidity sensor.}}, author = {{Weiss, Alexander and Reimer, Nele and Stock, Norbert and Tiemann, Michael and Wagner, Thorsten}}, issn = {{1463-9076}}, journal = {{Physical Chemistry Chemical Physics}}, pages = {{21634--21642}}, title = {{{Surface-modified CAU-10 MOF materials as humidity sensors: impedance spectroscopic study on water uptake}}}, doi = {{10.1039/c5cp01988e}}, year = {{2015}}, } @article{25939, abstract = {{A variety of metal nitrates were filled into the pores of an ordered mesoporous CMK-3 carbon matrix by solution-based impregnation. Thermal conversion of the metal nitrates into the respective metal oxides, and subsequent removal of the carbon matrix by thermal combustion, provides a versatile means to prepare mesoporous metal oxides (so-called nanocasting). This study aims to monitor the thermally induced processes by thermogravimetric analysis (TGA), coupled with mass ion detection (MS). The highly dispersed metal nitrates in the pores of the carbon matrix tend to react to the respective metal oxides at lower temperature than reported in the literature for pure, i.e., carbon-free, metal nitrates. The subsequent thermal combustion of the CMK-3 carbon matrix also occurs at lower temperature, which is explained by a catalytic effect of the metal oxides present in the pores. This catalytic effect is particularly strong for oxides of redox active metals, such as transition group VII and VIII metals (Mn, Fe, Co, Ni), Cu, and Ce.}}, author = {{Weinberger, Christian and Roggenbuck, Jan and Hanss, Jan and Tiemann, Michael}}, issn = {{2079-4991}}, journal = {{Nanomaterials}}, pages = {{1431--1441}}, title = {{{Synthesis of Mesoporous Metal Oxides by Structure Replication: Thermal Analysis of Metal Nitrates in Porous Carbon Matrices}}}, doi = {{10.3390/nano5031431}}, year = {{2015}}, } @article{25941, abstract = {{Ordered mesoporous In2O3 particles of variable size synthesized by the nanocasting method are used for preparation of resistive gas-sensing layers. Light activation by a LED (blue light, 460 nm) permits room-temperature ozone sensing. Apart from differences in base-line resistance in sensing layers containing small (diameter approx. 170 nm) or large particles (approx. 870 nm), differences in the response amplitude and response time constant are also observed. Signal stabilization is achieved faster for small particles. In addition, sensors show a particle size-dependent reaction threshold for low ozone concentration. Larger particles show negligible response to 50 ppb ozone whereas a significant response is observed for the small-particle sensors. A simple model based on geometrical properties and formation of depletion layers explaining the observed behavior is presented.}}, author = {{Klaus, Dominik and Klawinski, Danielle and Amrehn, Sabrina and Tiemann, Michael and Wagner, Thorsten}}, issn = {{0925-4005}}, journal = {{Sensors and Actuators B: Chemical}}, pages = {{181--185}}, title = {{{Light-activated resistive ozone sensing at room temperature utilizing nanoporous In2O3 particles: Influence of particle size}}}, doi = {{10.1016/j.snb.2014.09.021}}, year = {{2015}}, } @article{25942, abstract = {{Cobalt oxide spinel (Co3O4) with an ordered nanostructure is used as a resistive gas sensor for carbon monoxide (CO) in low ppm concentrations. The operating temperature has a strong impact on the concentration-dependent sensing behavior. At lower temperature (473 K) the sensor response is governed mainly by surface coverage with CO and/or CO2, whereas at higher temperature (563 K) oxygen diffusion in the crystal lattice of Co3O4 strongly affects the sensing behavior.}}, author = {{Vetter, S. and Haffer, S. and Wagner, T. and Tiemann, Michael}}, issn = {{0925-4005}}, journal = {{Sensors and Actuators B: Chemical}}, pages = {{133--138}}, title = {{{Nanostructured Co3O4 as a CO gas sensor: Temperature-dependent behavior}}}, doi = {{10.1016/j.snb.2014.09.025}}, year = {{2015}}, } @article{44980, author = {{Cooper, M. and Wagner, A. and Wondrousch, D. and Sonntag, F. and Sonnabend, A. and Brehm, Martin and Schüürmann, G. and Adrian, L.}}, journal = {{Environ. Sci. Technol.}}, pages = {{6018--6028}}, title = {{{Anaerobic Microbial Transformation of Halogenated Aromatics and Fate Prediction Using Electron Density Modeling}}}, doi = {{10.1021/acs.est.5b00303}}, volume = {{49 (10)}}, year = {{2015}}, } @article{44977, author = {{Hollóczki, O. and Macchiagodena, M. and Weber, H. and Thomas, M. and Brehm, Martin and Stark, A. and Russina, O. and Triolo, A. and Kirchner, B.}}, journal = {{ChemPhysChem}}, pages = {{3325--3333}}, title = {{{Triphilic Ionic-Liquid Mixtures: Fluorinated and Non-Fluorinated Aprotic Ionic-Liquid Mixtures}}}, doi = {{10.1002/cphc.201500473}}, volume = {{16 (15)}}, year = {{2015}}, } @article{44978, author = {{Brehm, Martin and Weber, H. and Thomas, M. and Hollóczki, O. and Kirchner, B.}}, journal = {{ChemPhysChem}}, pages = {{3271--3277}}, title = {{{Domain Analysis in Nanostructured Liquids: A Post-Molecular Dynamics Study at the Example of Ionic Liquids}}}, doi = {{10.1002/cphc.201500471}}, volume = {{16 (15)}}, year = {{2015}}, } @article{44979, author = {{Thomas, M. and Brehm, Martin and Kirchner, B.}}, journal = {{Phys. Chem. Chem. Phys.}}, pages = {{3207--3213}}, title = {{{Voronoi Dipole Moments for the Simulation of Bulk Phase Vibrational Spectra}}}, doi = {{10.1039/C4CP05272B}}, volume = {{17}}, year = {{2015}}, } @article{24112, author = {{Niendorf, Thomas and Brenne, Florian and Hoyer, Kay-Peter and Schwarze, Dieter and Schaper, Mirko and Grothe, Richard and Wiesener, Markus and Grundmeier, Guido and Maier, Hans Jürgen}}, issn = {{1073-5623}}, journal = {{Metallurgical and Materials Transactions A}}, pages = {{2829--2833}}, title = {{{Processing of New Materials by Additive Manufacturing: Iron-Based Alloys Containing Silver for Biomedical Applications}}}, doi = {{10.1007/s11661-015-2932-2}}, year = {{2015}}, } @article{34310, author = {{Elgabarty, Hossam and Khaliullin, Rustam Z. and Kühne, Thomas D.}}, issn = {{2041-1723}}, journal = {{Nature Communications}}, keywords = {{General Physics and Astronomy, General Biochemistry, Genetics and Molecular Biology, General Chemistry}}, number = {{1}}, publisher = {{Springer Science and Business Media LLC}}, title = {{{Covalency of hydrogen bonds in liquid water can be probed by proton nuclear magnetic resonance experiments}}}, doi = {{10.1038/ncomms9318}}, volume = {{6}}, year = {{2015}}, } @article{37996, author = {{Werner, Thomas and Hoffmann, Marcel and Deshmukh, Sunetra}}, issn = {{1434-193X}}, journal = {{European Journal of Organic Chemistry}}, keywords = {{T2, CSSD}}, number = {{15}}, pages = {{3286--3295}}, publisher = {{Wiley}}, title = {{{Phospholane-Catalyzed Wittig Reaction}}}, doi = {{10.1002/ejoc.201500243}}, volume = {{2015}}, year = {{2015}}, } @article{37991, abstract = {{