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- ItemMagnetic anisotropy of endohedral lanthanide ions: paramagnetic NMR study of MSc2N@C80-Ih with M running through the whole 4f row(Cambridge : RSC, 2015) Zhang, Y.; Krylov, D.; Rosenkranz, M.; Schiemenz, S.; Popov, A. A.Paramagnetic and variable temperature 13C and 45Sc nuclear magnetic resonance studies are performed for nitride clusterfullerenes MSc2N@C80 with icosahedral Ih(7) carbon cage, where M runs through all lanthanides forming nitride clusters. The influence of the endohedral lanthanide ions on the NMR spectral pattern is carefully followed, and dramatic differences are found in peak positions and line widths. Thus, 13C lines broaden from 0.01–0.02 ppm in diamagnetic MSc2N@C80 molecules (M = La, Y, Lu) to several ppm in TbSc2N@C80 and DySc2N@C80. Direction of the paramagnetic shift depends on the shape of the 4f electron density in corresponding lanthanide ions. In TmSc2N@C80 and ErSc2N@C80 with prolate 4f-density of lanthanide ions, 13C signals are shifted down-field, whereas 45Sc peaks are shifted up-field versus diamagnetic values. In all other MSc2N@C80 molecules lanthanide ions have oblate-shaped 4f electron density, and the lanthanide-induced shift is negative for 13C and positive for 45Sc peaks. Analysis of the pseudocontact and contact contributions to chemical shifts revealed that the pseudocontact term dominates both in 13C and 45Sc NMR spectra, although contact shifts for 13C signals are also considerable. Point charge computations of the ligand field splitting are performed to explain experimental results, and showed reasonable agreement with experimental pseudocontact shifts. Nitrogen atom bearing large negative charge and located close to the lanthanide ion results in large magnetic anisotropy of lanthanide ions in nitride clusterfullerenes with quasi-uniaxial ligand field.
- ItemA multiwavelength study of the Stingray Nebula; properties of the nebula, central star, and dust(Bristol : IOP Publ., 2016) Otsuka, Masaaki; Parthasarathy, Mudumba; Tajitsu, Akito; Hubrig, SwetlanaWe performed a detail chemical abundance analysis and photo-ionization modeling of the Stingray Nebula (Hen3-1357, Parthasarathy et al. 1993[1]) to more characterize this PN. We calculated nine elemental abundances using collisionally excited lines (CELs) and recombination lines (RLs). The RL C/O ratio indicates that this PN is O-rich, which is supported by the detection of the broad amorphous silicate features at 9 and 18 μm By photo-ionization modeling, we investigated properties of the central star and derived the gas and dust masses. The nebular elemental abundances, the core-mass of the central star, and the gas mass are in agreement with the AGB model for the initially 1.5 M⊙ stars with the Z = 0.008.
- ItemFiber-integrated hollow-core light cage for gas spectroscopy(Melville, NY : AIP Publishing, 2021) Jang, Bumjoon; Gargiulo, Julian; Kim, Jisoo; Bürger, Johannes; Both, Steffen; Lehmann, Hartmut; Wieduwilt, Torsten; Weiss, Thomas; Maier, Stefan A.; Schmidt, Markus A.Interfacing integrated on-chip waveguides with spectroscopic approaches represents one research direction within current photonics aiming at reducing geometric footprints and increasing device densities. Particularly relevant is to connect chip-integrated waveguides with established fiber-based circuitry, opening up the possibility for a new class of devices within the field of integrated photonics. Here, one attractive waveguide is the on-chip light cage, confining and guiding light in a low-index core through the anti-resonance effect. This waveguide, implemented via 3D nanoprinting and reaching nearly 100% overlap of mode and material of interest, uniquely provides side-wise access to the core region through the open spaces between the cage strands, drastically reducing gas diffusion times. Here, we extend the capabilities of the light cage concept by interfacing light cages and optical fibers, reaching a fully fiber-integrated on-chip waveguide arrangement with its spectroscopic capabilities demonstrated here on the example of tunable diode laser absorption spectroscopy of ammonia. Controlling and optimizing the fiber circuitry integration have been achieved via automatic alignment in etched v-grooves on silicon chips. This successful device integration via 3D nanoprinting highlights the fiber-interfaced light cage to be an attractive waveguide platform for a multitude of spectroscopy-related fields, including bio-analytics, lab-on-chip photonic sensing, chemistry, and quantum metrology. © 2021 Author(s).
- ItemStability studies of ionic liquid [EMIm][NTf2] under short-term thermal exposure(London : RSC Publishing, 2016) Neise, Christin; Rautenberg, Christine; Bentrup, Ursula; Beck, Martin; Ahrenberg, Mathias; Schick, Christoph; Keßler, Olaf; Kragl, UdoIonic liquids (ILs) as new media for synthesis and as functional fluids in technical applications are still of high interest. Cooling a steel component from an annealing temperature of nearly 850 °C down to room temperature in a liquid bath is a technically important process. The use of ionic liquids offers advantages avoiding film boiling of the quenching medium. However, such a high immersion temperature exceeds the thermal stability of the IL, for example such as [EMIm][NTf2]. To obtain information about formation of potential toxic decomposition products, potential fragments at varied states of decomposition of [EMIm][NTf2] were studied by various spectroscopic and gravimetric methods. For the first time it was possible to quantify fluorine-containing products via mass spectrometry coupled directly with thermogravimetric (TG) measurements. While chemical and spectroscopic analysis of thermally stressed ILs revealed no hints concerning changes of composition after quenching hot steel for several times, the mass-spectrometer (MS) coupled TG analysis gives information by comparing the decomposition behaviour of fresh and used ILs. A number of fragments were detected in low amounts confirming the proposed decomposition mechanism.
- ItemHD DVD substrates for surface enhanced Raman spectroscopy analysis: fabrication, theoretical predictions and practical performance(London : RSC Publishing, 2016) Radu, A.I.; Ussembayev, Y.Y.; Jahn, M.; Schubert, U.S.; Weber, K.; Cialla-May, D.; Hoeppener, S.; Heisterkamp, A.; Popp, J.Commercial HD DVDs provide a characteristic structure of encoding pits which were utilized to fabricate cost efficiently large area SERS substrates for chemical analysis. The study targets the simulation of the plasmonic structure of the substrates and presents an easily accessible fabrication process to obtain highly sensitive SERS active substrates. The theoretical simulation predicted the formation of supermodes under optimized illumination conditions, which were verified experimentally. First tests of the developed SERS substrates demonstrated their excellent potential for detecting vitamin A and pro-vitamin A at low concentration levels.
- ItemRoom temperature synthesis of an amorphous MoS2 based composite stabilized by N-donor ligands and its light-driven photocatalytic hydrogen production(London : RSC Publishing, 2015) Niefind, Felix; Djamil, John; Bensch, Wolfgang; Srinivasan, Bikshandarkoil R.; Sinev, Ilya; Grünert, Wolfgang; Deng, Mao; Kienle, Lorenz; Lotnyk, Andriy; Mesch, Maria B.; Senker, Jürgen; Dura, Laura; Beweries, TorstenHerein an entirely new and simple room temperature synthesis of an amorphous molybdenum sulfide stabilized by complexing ammonia and hydrazine is reported. The resulting material exhibits an outstanding activity for the photocatalytic hydrogen evolution driven by visible light. It is chemically stable during the reaction conditions of the photocatalysis and shows unusual thermal stability up to 350 °C without crystallization. The new material is obtained by a reaction of solid ammonium tetrathiomolybdate and gaseous hydrazine. In the as-prepared state Mo atoms are surrounded by μ2-briding S2−, NH3 and hydrazine, the latter being coordinated to Mo(IV) in a bridging or side-on mode. Heating at 450 °C or irradiation with an electron beam generates nanosized crystalline MoS2 slabs. The two modes for crystallization are characterized by distinct mechanisms for crystal growth. The stacking of the slabs is low and the material exhibits a pronounced turbostratic disorder. Heat treatment at 900 °C yields more ordered MoS2 but structural disorder is still present. The visible-light driven hydrogen evolution experiments evidence an outstanding performance of the as-prepared sample. The materials were thoroughly characterized by optical spectroscopy, chemical analysis, in situ HRTEM, XRD, 1H and 15N solid-state NMR, XPS, and thermal analysis.