@article{ZuehlkeZenichowskiRiebeetal.2017, author = {Z{\"u}hlke, Martin and Zenichowski, Karl and Riebe, Daniel and Beitz, Toralf and L{\"o}hmannsr{\"o}ben, Hans-Gerd}, title = {Subambient pressure electrospray ionization ion mobility spectrometry}, series = {International journal for ion mobility spectrometry : official publication of the International Society for Ion Mobility Spectrometry}, volume = {20}, journal = {International journal for ion mobility spectrometry : official publication of the International Society for Ion Mobility Spectrometry}, publisher = {Springer}, address = {Heidelberg}, issn = {1435-6163}, doi = {10.1007/s12127-017-0215-x}, pages = {47 -- 56}, year = {2017}, abstract = {The pressure dependence of sheath gas assisted electrospray ionization (ESI) was investigated based on two complementary experimental setups, namely an ESI-ion mobility (IM) spectrometer and an ESI capillary - Faraday plate setup housed in an optically accessible vacuum chamber. The ESI-IM spectrometer is capable of working in the pressure range between 300 and 1000 mbar. Another aim was the assessment of the analytical capabilities of a subambient pressure ESI-IM spectrometer. The pressure dependence of ESI was characterized by imaging the electrospray and recording current-voltage (I-U) curves. Qualitatively different behavior was observed in both setups. While the current rises continuously with the voltage in the capillary-plate setup, a sharp increase of the current was measured in the IM spectrometer above a pressure-dependent threshold voltage. The different character can be attributed to the detection of different species in both experiments. In the capillary-plate experiment, a multitude of charged species are detected while only desolvated ions attribute to the IM spectrometer signal. This finding demonstrates the utility of IM spectrometry for the characterization of ESI, since in contrast to the capillary-plate setup, the release of ions from the electrospray droplets can be observed. The I-U curves change significantly with pressure. An important result is the reduction of the maximum current with decreasing pressure. The connected loss of ionization efficiency can be compensated by a more efficient transfer of ions in the IM spectrometer at increased E/N. Thus, similar limits of detection could be obtained at 500 mbar and 1 bar.}, language = {en} } @article{ZuelickeRagnettiNeumann1997, author = {Z{\"u}licke, Lutz and Ragnetti, Francesca and Neumann, Rainer}, title = {Ionized Van-der-Waals systems : structure and interactions}, year = {1997}, language = {en} } @article{ZuelickeRagnettiNeumannetal.1996, author = {Z{\"u}licke, Lutz and Ragnetti, Francesca and Neumann, Rainer and Zuhrt, Christian}, title = {Ionized Van-der-Waals systems : structure and interactions}, series = {Technical Report / Institute of Physical and Theoretical Chemistry, Potsdam}, volume = {1996, 01}, journal = {Technical Report / Institute of Physical and Theoretical Chemistry, Potsdam}, publisher = {Univ.}, address = {Potsdam}, pages = {46 S.}, year = {1996}, language = {en} } @article{ZuelickeZuhrtChapuisatetal.1994, author = {Z{\"u}licke, Lutz and Zuhrt, Christian and Chapuisat, Xavier and Saint-Esp{\´e}s, C{\´e}cile}, title = {Internal dynamics of simple floppy molecules}, year = {1994}, language = {en} } @article{OenerQuerebilloDavidetal.2018, author = {{\"O}ner, Ibrahim Halil and Querebillo, Christine Joy and David, Christin and Gernert, Ulrich and Walter, Carsten and Driess, Matthias and Leimk{\"u}hler, Silke and Ly, Khoa Hoang and Weidinger, Inez M.}, title = {High electromagnetic field enhancement of TiO2 nanotube electrodes}, series = {Angewandte Chemie : a journal of the Gesellschaft Deutscher Chemiker ; International edition}, volume = {57}, journal = {Angewandte Chemie : a journal of the Gesellschaft Deutscher Chemiker ; International edition}, number = {24}, publisher = {Wiley-VCH}, address = {Weinheim}, issn = {1433-7851}, doi = {10.1002/anie.201802597}, pages = {7225 -- 7229}, year = {2018}, abstract = {We present the fabrication of TiO2 nanotube electrodes with high biocompatibility and extraordinary spectroscopic properties. Intense surface-enhanced resonance Raman signals of the heme unit of the redox enzyme Cytochromeb(5) were observed upon covalent immobilization of the protein matrix on the TiO2 surface, revealing overall preserved structural integrity and redox behavior. The enhancement factor could be rationally controlled by varying the electrode annealing temperature, reaching a record maximum value of over 70 at 475 degrees C. For the first time, such high values are reported for non-directly surface-interacting probes, for which the involvement of charge-transfer processes in signal amplification can be excluded. The origin of the surface enhancement is exclusively attributed to enhanced localized electric fields resulting from the specific optical properties of the nanotubular geometry of the electrode.}, language = {en} } @article{OPUS4-15433, title = {Preparation of simple and mixed nickel and cobalt molybdates using hybrid precursors made from an ordered polymer matrix and inorganic salts}, year = {2004}, abstract = {The amphiphilic poly(ampholyte) poly(N,N-diallyl-N-hexylamine-alt-maleic acid), bearing simultaneously carboxylic acids, amines and hydrocarbon side chains, was used as a matrix to stabilize inorganic ion species (anionic as well as cationic) generated in aqueous solution from Ni(NO3)(2).6H(2)O, Co(NO3)(2).6H(2)O and (NH4)2MoO(4). Drying produces hybrid organic-inorganic blends which, due to the amphiphilicity of the copolymer, exhibit supramolecular organization in the bulk. Solid state studies show that up to two moles of metal cations (alone or together with metal anions) per repeat unit of the copolymer can be blended without loss of homogeneity in the hybrid material. A systematic screening permitted the determination of the optimal conditions for the preparation of homogeneous blends. Thermal treatment of the hybrid materials produces simple and mixed nickel and/or cobalt molybdates. The alpha- as well as the P- phase were obtained, and the mixed structures are solid solutions of simple NiMoO4 and CoMoO4}, language = {en} } @article{OPUS4-10587, title = {DFT-GIAO-NBO and 13C NMR study of the delta-syn-axial effect in 2,4-disubstituted adamantanes}, issn = {0749-1581}, doi = {10.1002/Mrc.2333}, year = {2008}, abstract = {Six groups of diastereomeric 2,4-disubstituted adamantanes were studied with DFT-GIAO-NBO (natural orbital analysis) methods. The calculated 13C chemical shifts reproduce well the experimental data. It was found that among all diastereomers, those bearing substituents in -syn-axial positions showed the largest overall deshielding, i.e. the sum of all 13C chemical shifts [;;(13C)] was the greatest and also had the highest delocalization contribution to the molecular energy evaluated with NBO. The higher delocalization energy is proposed to be the origin of the deshielding -syn-axial effect}, language = {en} } @article{OPUS4-10769, title = {Synthesis and conformational analysis of phenyl-substituted 1,3,2-oxazaphosphino[4,3-a]- and 1,2,3- oxathiazino[4,3-a]isoquinolines}, year = {2008}, abstract = {Through the ring closures of tetrahydroisoquinoline 1,3-amino alcohols bearing a phenyl group in the side- chain, diastereomers of novel 1- or 2-phenyl-substituted 1,3,2-oxazaphosphino[4,3-a]isoquinoline 4-oxides, and 1,2,3- oxathiazino[4,3-a]isoquinoline 4-oxides and 4,4-dioxides were prepared. NMR analysis and DFT calculations on the prepared tetrahydroisoquinoline-condensed 1,2,3-heterocycles revealed that their conformational equilibria of cis1-trans-cis2 type are influenced by the relative configuration of P-4 in the 1,3,2-oxazaphosphinanes, and by the position of the phenyl group in the 1,2,3-oxathiazines.}, language = {en} }