Unsere Forschung befasst sich mit Grundlagen und Anwendungen der magnetischen Resonanz.

Forschungsinteressen

Wir nutzen vorrangig die Spinresonanz von Atomkernen und Elektronen um eine Vielzahl von fundamentalen Problemen der Physik und der Chemie zu studieren.

Mittels Kernspinresonanz (engl.: nuclear magnetic resonance = NMR) untersuchen wir chemische und elektronische Eigenschaften von Quantenfestkörpern, wie etwa   Hochtemperatursupraleiter oder Topologische Isolatoren. Spins sind sensible Quantensensoren ihrer unmittelbaren Umgebung und können daher detaillierte Informationen der lokalen chemischen und elektronischen Struktur zugänglich machen, inklusive dynamischer Prozesse, was essentiell für die Theoriebildung solcher Materialien ist.

Beispielsweise können wir auf der Basis einfacher NMR-Daten die höchstmögliche Sprungtemperatur supraleitender Kuprate vorhersagen, da diese vom Grad der chemischen Kovalenz der Kupfer-Sauerstoffbindungen gesetzt werden. Diese Einsicht könnte sich als Gamechanger für neue Theorien in diesem Feld erweisen. In topologischen Isolatoren konnten wir zeigen, dass sogar schon sehr schwache Magnetfelder die lokale Ladungssymmetrie verändern, ein Verhalten welches so noch nicht dokumentiert wurde. Darüber hinaus kann die NMR genutzt werden um die Bandinversion - die zentrale Eigenschaft topologischer Systeme - in diesen Materialien direkt zu messen.

Unsere Forschung beschäftigt sich außerdem mit der Entwicklung hochspezialisierter Techniken in der Spinresonanz, wie etwa 'fliegende' NMR-Experimente in gepulsten Magnetfeldern mit Weltrekordfeldstärken (bis zu 60 T) oder NMR mit Mirkospulen in Gigapascal-Hochdruckzellen, um beispielsweise die Orientierungsabhängigkeit elektronischer Eigenschaften von Einkristallen über einen weiten Temperaturbereich zu untersuchen.
 

Unsere Forschungsinteressen auf dem Gebiet der paramagnetischen Elektronenresonanz (EPR = electron paramagnetic resonance) sind größtenteils der Untersuchung von Struktur und elektronischen Eigenschaften von paramagnetischen Zentren auf Oberflächen mikroporöser Festkörper (poröse Koordinationspolymere, Zeolithe) gewidmet. Wir interessieren uns speziell für die Wechselwirkung zwischen den in porösen Materialien adsorbierten Gastmolekülen und diesen Oberflächenzentren. Diese Wechselwirkungen bestimmen entscheidend die adsorptiven und katalytischen Eigenschaften der porösen Festkörper. Weiterhin untersuchen wir paramagnetische Störstellen in halbleitenden Metalloxyden, Siliziumkarbid und Diamant. In unserer Arbeit nutzen wir die Elektronen-Paramagnetischen-Resonanz (EPR) Spektroskopie im X (9,5 GHz) und Q (34 GHz) Band. Neben den klassischen EPR Verfahren mit kontinuierlicher Mikrowelleneinstrahlung liegt dabei besonders der Schwerpunkt unserer Forschung auf dem Einsatz von Puls-EPR-Methoden der Hyperfeinspektroskopie: Elektronen-Spin-Echo-Modulation (ESEEM) und Elektronen-Kern-Doppel-Resonanz (ENDOR).

Publikationen

Das WEB of Science enthält folgende Veröffentlichungen von Mitarbeitern der Arbeitsgruppe im Erscheinungsjahr 

S.S. Arzumanov, A.A. Gabrienko, D. Freude, J. Haase, A.G. Stepanov, Tuning the Mechanism of H/D Exchange for Isobutane on H-BEA by Loading Zn Species in Zeolite, Chem. Euro. J. 29 (2023) e202202962.

S.S. Arzumanov, A.A. Gabrienko, A.V. Toktarev, D. Freude, J. Haase, A.G. Stepanov, H/D Exchange of n-Butane on In-Modified Zeolite BEA Investigated by 1H Magic-Angle Spinning Nuclear Magnetic Resonance In Situ, Journal of Physical Chemistry C 127 (2023) 21122­-21131.

M. Avramovska, D. Freude, J. Haase, A.V. Toktarev, S.S. Arzumanov, A.A. Gabrienko, A.G. Stepanov, Quantitative 67Zn, 27Al and 1H MAS NMR spectroscopy for the characterization of Zn species in ZSM-5 catalysts, Physical Chemistry Chemical Physics 25 (2023) 28043-28051.

M. Avramovska, D. Freude, W. Schwieger, T. Fey, J. Kärger, J. Haase, NMR Studies of the Rehydroxylation of Ceramic Materials with Respect to Rehydroxylation Dating, Journal of Physical Chemistry C 127 (2023) 19833-19840.

M. Holiatkina, A. Pöppl, E. Kalabukhova, J. Lancok, D. Savchenko, Spin exchange dynamics in 4H SiC monocrystals with different nitrogen donor concentrations, Journal of Applied Physics 134 (2023).

M. Jablonska, A. Palcic, M.F. Lukman, A. Wach, M. Bertmer, D. Poppitz, R. Denecke, X.C. Wu, U. Simon, A. Pöppl, R. Gläser, OSDA-Free Seeded Cu-Containing ZSM-5 Applied for NH3-SCR-DeNOx, ACS Omega 8 (2023) 41107-41119.

M. Jurkutat, C. Kattinger, S. Tsankov, R. Reznicek, A. Erb, J. Haase, How pressure enhances the critical temperature of superconductivity in YBa2Cu3O6+y, Proceedings of the National Academy of Sciences of the United States of America 120 (2023).

Y.K. Liao, V. Lagostina, E. Salvadori, M. Hartmann, A. Poeppl, M. Chiesa, Short-Range Electronic Interactions between Vanadium and Molybdenum in Bimetallic SAPO-5 Catalysts Revealed by Hyperfine Spectroscopy, Journal of Physical Chemistry C 127 (2023) 11103-11110.

M.F. Lukman, M. Mendt, V. Bon, S. Kaskel, A. Pöppl, Selective adsorption of dihydrogen isotopes on DUT-8 (Ni,Co) monitored by in situ electron paramagnetic resonance, Chemical Communications 59 (2023) 9884-9887.

I. Senkovska, V. Bon, L. Abylgazina, M. Mendt, J. Berger, G. Kieslich, P. Petkov, J.L. Fiorio, J.O. Joswig, T. Heine, L. Schaper, C. Bachetzky, R. Schmid, R.A. Fischer, A. Pöppl, E. Brunner, S. Kaskel, Understanding MOF Flexibility: An Analysis Focused on Pillared Layer MOFs as a Model System, Angewandte Chemie-International Edition 62 (2023).

R.S.R. Suharbiansah, M.F. Lukman, C. Nannuzzi, A. Wach, K. Góra-Marek, M. Liebau, A. Palcic, A. Pöppl, G. Berlier, S. Bordiga, R. Gläser, M. Jablonska, Effect of the preparation method on the catalytic properties of copper-containing zeolite Y applied for NH3-SCR-DeNOx, Catalysis Science & Technology 13 (2023) 3804-3817.

K. Thangavel, P.C. Bruzzese, M. Mendt, A. Folli, K. Knippen, D. Volkmer, D.M. Murphy, A. Pöppl, Unveiling the atomistic and electronic structure of NiII-NO adduct in a MOF-based catalyst by EPR spectroscopy and quantum chemical modelling, Physical Chemistry Chemical Physics 25 (2023) 15702-15714.

K. Thangavel, M. Mendt, B. Garai, A. Folli, V. Bon, D.M. Murphy, S. Kaskel, A. Pöppl, Magnetic coupling of divalent metal centers in postsynthetic metal exchanged bimetallic DUT-49 MOFs by EPR spectroscopy, AIP Advances 13 (2023).

K. Thangavel, F. Walenszus, M. Mendt, V. Bon, S. Kaskel, A. Pöppl, Monitoring the Local Structure and Magnetic Properties of the Dinuclear Cue-Paddle Wheel Nodes in the Mesoporous Metal-Organic Framework, DUT-49(Cu), upon Adsorption-Induced Transitions, Journal of Physical Chemistry C 127 (2023) 8217-8234.

G. Usevicius, A. Eggeling, I. Pocius, V. Kalendra, D. Klose, M. Maczka, A. Poeppl, J. Banys, G. Jeschke, M. Simenas, Probing Methyl Group Tunneling in (CH3)2NH2 Zn(HCOO)3 Hybrid Perovskite Using Co2+ EPR, Molecules 28 (2023) 979.
 

A.A. Gabrienko, Z.N. Lashchinskaya, S.S. Arzumanov, A.V. Toktarev, D. Freude, J. Haase, A.G. Stepanov, Isobutane Transformation to Aromatics on Zn-Modified Zeolites: Intermediates and the Effect of Zn2+ and ZnO Species on the Reaction Occurrence Revealed by C-13 MAS NMR, Chemphyschem 23 (2022), e2021005.

R. Guehne, C. Kattinger, M. Bertmer, S. Welzmiller, O. Oeckler, J. Haase, NMR Study of AgInTe2 at Normal and High Pressures, Journal of Physical Chemistry C 126 (2022) 8461–8466.

J. Haase, A Different NMR View of Cuprate Superconductors, Journal of Superconductivity and Novel Magnetism 35 (2022) 1753–1760.

S. Hwang, D. Schneider, J. Haase, E. Miersemann, J. Karger, Quantifying Diffusion-limited Catalytic Reactions in Hierarchically Structured Porous Materials by Combining Kinetic Monte Carlo Simulations with the Two-region Model of Diffusion, Chemcatchem 14 (2022), e2022008.

M. Jablonska, K. Gora-Marek, P.C. Bruzzese, A. Palcic, K. Pyra, K. Tarach, M. Bertmer, D. Poppitz, A. Poeppl, R. Glaeser, Influence of Framework n(Si)/n(Al) Ratio on the Nature of Cu Species in Cu-ZSM-5 for NH3-SCR-DeNO(x), Chemcatchem 14 (2022), e202200627.

M. Jablonska, K. Gora-Marek, M.F. Lukman, K. Tarach, M. Bertmer, R. Denecke, D. Poppitz, K. Marcinowski, A. Poppl, R. Glaeser, Selective catalytic reduction of NOx over micro-/meso-/macroporous Cu-SAPO-34, Catalysis Science & Technology 12 (2022) 6660-6675.

A. Kultaeva, A. Poeppl, T. Biktagirov, Atomic-Scale Quantum Sensing of Ensembles of Guest Molecules in a Metal-Organic Framework with Intrinsic Electron Spin Centers, Journal of Physical Chemistry Letters 13 (2022) 6737–6742.

A. Mutschke, A. Schulz, M. Bertmer, C. Ritter, A.J. Karttunen, G. Kieslich, N. Kunkel, Expanding the hydride chemistry: antiperovskites A(3)MO(4)H (A = Rb, Cs; M = Mo, W) introducing the transition oxometalate hydrides, Chemical Science 13 (2022) 7773–7779.

S. Simon, M. Bertmer, G.J.G. Gluth, Sol-gel synthesis and characterization of lithium aluminate (L-A-H) and lithium aluminosilicate (L-A-S-H) gels, International Journal of Applied Ceramic Technology 19 (2022) 3179–3190.

K. Thangavel, A.V. Morozkin, V.R.K. Murthy, S. Rayaprol, A. Poeppl, R. Nirmala, Inverse Magnetocaloric Effect and the Magnetostructural Transition in Pr0.15Ca0.85MnO3 Manganite, Ieee Transactions on Magnetics 58 (2022), Art 2500806.

N. Wilharm, M. Bertmer, W. Knolle, J. Griebel, C. Elsner, S.G. Mayr, Biomimetic crosslinking of collagen gels by energetic electrons: The role of L-lysine, Acta Biomaterialia 140 (2022) 219–232.

N. Zapp, F. Oehler, M. Bertmer, H. Auer, D. Sheptyakov, C. Ritter, H. Kohlmann, Aliovalent anion substitution as a design concept for heteroanionic Ruddlesden-Popper hydrides, Chemical Communications 58 (2022) 12971–12974.

M. Avramovska, C. Chmelik, A. Derkowski, A. Fantalkin, D. Freude, J. Haase, V. Hare, J. Kärger, A. Kuligiewicz, M. Moinester, Searching for the fundamentals of rehydroxylation dating of archaeological ceramics via NMR and IR microscopy, Journal of the American Ceramic Society 104 (2021) 5328—5340.

M. Avramovska, D. Freude, W. Schwieger, C. Song, J. Kärger, J. Haase, NMR Studies of the Dehydroxylation and Rehydroxylation (RHX) of Clays with Respect to the RHX Dating of Ceramic Materials, The Journal of Physical Chemistry C 125 (2021) 26274—26283.

P.C. Bruzzese, E. Salvadori, S. Jäger, M. Hartmann, B. Civalleri, A. Pöppl, M. Chiesa, 17O-EPR determination of the structure and dynamics of copper single-metal sites in zeolites, Nature Communications 12 (2021) 1—13.

C. Chmelik, R. Gläser, J. Haase, S. Hwang, J. Kärger, Application of microimaging to diffusion studies in nanoporous materials, Adsorption 27 (2021) 819—840.

R. Finger, M. Widenmeyer, T.C. Hansen, D. Wallacher, S. Savvin, M. Bertmer, A. Weidenkaff, H. Kohlmann, Effects of Cr Doping and Water Content on the Crystal Structure Transitions of Ba2In2O5, Crystals 11 (2021) 1548.

A.A. Gabrienko, Z.N. Lashchinskaya, S.S. Arzumanov, A.V. Toktarev, D. Freude, J. Haase, A.G. Stepanov, 1H MAS NMR in situ reaction monitoring reveals the particular effects of Zn2+ and ZnO species on the kinetics of isobutane transformation on Zn-modified zeolites, The Journal of Physical Chemistry C 125 (2021) 21471—21480.

A.A. Gabrienko, Z.N. Lashchinskaya, S.S. Arzumanov, A.V. Toktarev, D. Freude, J. Haase, A.G. Stepanov, Isobutene Transformation to Aromatics on Zn-Modified Zeolite: Particular Effects of Zn2+ and ZnO Species on the Reaction Occurrence Revealed with Solid-State NMR and FTIR Spectroscopy, The Journal of Physical Chemistry C 125 (2021) 15343—15353.

C. Grengg, G.J. Gluth, F. Mittermayr, N. Ukrainczyk, M. Bertmer, A.G. Buzanich, M. Radtke, A. Leis, M. Dietzel, Deterioration mechanism of alkali-activated materials in sulfuric acid and the influence of Cu: A micro-to-nano structural, elemental and stable isotopic multi-proxy study, Cement and Concrete Research 142 (2021) 106373.

R. Guehne, G.V.M. Williams, S.V. Chong, J. Haase, Unusual Quadrupole NMR of Topological Insulator Bi2Te3, The Journal of Physical Chemistry C 125 (2021) 6743—6748.

S. Henfling, A. Kultaeva, A. Pöppl, J. Klose, B. Kersting, K.V. Domasevitch, H. Krautscheid, Proton and Electron Transfer in the Formation of a Copper Dithiolene-Based Coordination Polymer, Inorganic Chemistry 60 (2021) 9008—9018.

S. Hwang, J. Haase, E. Miersemann, J. Kärger, Diffusion Analysis in Pore Hierarchies by the Two‐Region Model, Advanced Materials Interfaces 8 (2021) 2000749.

M. Jabłońska, K. Góra-Marek, M. Grilc, P.C. Bruzzese, D. Poppitz, K. Pyra, M. Liebau, A. Pöppl, B. Likozar, R. Gläser, Effect of Textural Properties and Presence of Co-Cation on NH3-SCR Activity of Cu-Exchanged ZSM-5, Catalysts 11 (2021) 843.

J. Kärger, M. Avramovska, D. Freude, J. Haase, S. Hwang, R. Valiullin, Pulsed field gradient NMR diffusion measurement in nanoporous materials, Adsorption 27 (2021) 453—484.

C. Kattinger, R. Guehne, S. Tsankov, M. Jurkutat, A. Erb, J. Haase, Moissanite anvil cell single crystal NMR at pressures of up to 4.4 GPa, Review of Scientific Instruments 92 (2021) 113901.

Y.-K. Liao, P.C. Bruzzese, M. Hartmann, A. Pöppl, M. Chiesa, Chromium Environment within Cr-Doped Silico-Aluminophosphate Molecular Sieves from Spin Density Studies, The Journal of Physical Chemistry C 125 (2021) 8116—8124.

M. Mendt, M. Maliuta, S. Ehrling, F. Schwotzer, I. Senkovska, S. Kaskel, A. Pöppl, Mixed-Metal Ni2+–Mn2+ Paddle Wheels in the Metal–Organic Framework DUT-8 (Ni1–x Mn x) as Electron Paramagnetic Resonance Probes for Monitoring the Structural Phase Transition, The Journal of Physical Chemistry C 126 (2021) 625—633.

A. Mutschke, G.M. Bernard, M. Bertmer, A.J. Karttunen, C. Ritter, V.K. Michaelis, N. Kunkel, Na3SO4H—The First Representative of the Material Class of Sulfate Hydrides, Angewandte Chemie International Edition 60 (2021) 5683—5687.

A. Mutschke, G.M. Bernard, M. Bertmer, A.J. Karttunen, C. Ritter, V.K. Michaelis, N. Kunkel, Na3SO4H–ein erster Vertreter der Materialklasse der Sulfathydride, Angewandte Chemie 133 (2021) 5747—5751.

S. Schmorl, S. Naumov, B. Abel, M. Börner, A. Pöppl, B. Kersting, Metalloligands based on Robson-type amino-thiophenolato macrocycles for assembly of heterotrimetallic complexes, Dalton Transactions 50 (2021) 5784—5788.

A. Setzer, P.D. Esquinazi, O. Daikos, T. Scherzer, A. Pöppl, R. Staacke, T. Lühmann, S. Pezzagna, W. Knolle, S. Buga, Weak Electron Irradiation Suppresses the Anomalous Magnetization of N‐Doped Diamond Crystals, physica status solidi (b) 258 (2021) 2100395.

S. Weber, S. Schäfer, M. Saccoccio, N. Ortner, M. Bertmer, K. Seidel, S. Berendts, M. Lerch, R. Gläser, H. Kohlmann, Mayenite-Based Electride C12A7e−: A Reactivity and Stability Study, Catalysts 11 (2021) 334.

R. Wunderlich, R. Staacke, W. Knolle, B. Abel, J. Haase, J. Meijer, Robust nuclear hyperpolarization driven by strongly coupled nitrogen vacancy centers, Journal of Applied Physics 130 (2021) 104301.

M. Šimėnas, D. Klose, M. Ptak, K. Aidas, M. Mączka, J. Banys, A. Pöppl, G. Jeschke, Magnetic excitation and readout of methyl group tunnel coherence, Science advances 6 (2020) eaba1517.

D. Pavićević, M. Avramovska, J. Haase, Unconventional 17O and 63Cu NMR shift components in cuprate superconductors, Modern Physics Letters B 34 (2020) 2040047.

A. Palčić, P.C. Bruzzese, K. Pyra, M. Bertmer, K. Góra-Marek, D. Poppitz, A. Pöppl, R. Gläser, M. Jabłońska, Nanosized Cu-SSZ-13 and Its Application in NH3-SCR, Catalysts 10 (2020) 506.

M. Navickas, L. Giriūnas, V. Kalendra, T. Biktagirov, U. Gerstmann, W.G. Schmidt, M. Mączka, A. Pöppl, J. Banys, M. Šimėnas, Electron paramagnetic resonance study of ferroelectric phase transition and dynamic effects in a Mn 2+ doped [NH 4][Zn (HCOO) 3] hybrid formate framework, Physical Chemistry Chemical Physics 22 (2020) 8513—8521.

J. Nachtigal, M. Avramovska, A. Erb, D. Pavićević, R. Guehne, J. Haase, Temperature-Independent Cuprate Pseudogap from Planar Oxygen NMR, Condensed Matter 5 (2020) 66.

M. Mączka, M. Ptak, D.L.M.o. Vasconcelos, L. Giriunas, P.T.C. Freire, M. Bertmer, J. Banys, M. Simenas, NMR and Raman Scattering Studies of Temperature-and Pressure-Driven Phase Transitions in CH3NH2NH2PbCl3 Perovskite, The Journal of Physical Chemistry C 124 (2020) 26999—27008.

Z.N. Lashchinskaya, A.A. Gabrienko, S.S. Arzumanov, A.A. Kolganov, A.V. Toktarev, D. Freude, J.r. Haase, A.G. Stepanov, Which Species, Zn2+ Cations or ZnO Clusters, Are More Efficient for Olefin Aromatization? 13C Solid-State NMR Investigation of n-But-1-ene Transformation on Zn-Modified Zeolite, ACS Catalysis 10 (2020) 14224—14233.

A.A. Gabrienko, S.S. Arzumanov, Z.N. Lashchinskaya, A.V. Toktarev, D. Freude, J. Haase, A.G. Stepanov, n-Butane transformation on Zn/H-BEA. The effect of different Zn species (Zn2+ and ZnO) on the reaction performance, Journal of Catalysis 391 (2020) 69—79.

S. Ehrling, M. Mendt, I. Senkovska, J.D. Evans, V. Bon, P. Petkov, C. Ehrling, F. Walenszus, A. Pöppl, S. Kaskel, Tailoring the Adsorption-Induced Flexibility of a Pillared Layer Metal–Organic Framework DUT-8 (Ni) by Cobalt Substitution, Chemistry of Materials 32 (2020) 5670—5681.

V. Bon, E. Brunner, A. Pöppl, S. Kaskel, Unraveling structure and dynamics in porous frameworks via advanced in situ characterization techniques, Advanced Functional Materials 30 (2020) 1907847.

J. Bitzer, S. Otterbach, K. Thangavel, A. Kultaeva, R. Schmid, A. Pöppl, W. Kleist, Experimental Evidence for the Incorporation of Two Metals at Equivalent Lattice Positions in Mixed‐Metal Metal–Organic Frameworks, Chemistry (Weinheim an der Bergstrasse, Germany) 26 (2020) 5667.

M. Bertmer, Solid-state NMR of small molecule adsorption in metal–organic frameworks (MOFs), Annual Reports on NMR Spectroscopy 101 (2020) 1—64.

M. Avramovska, D. Pavićević, J. Haase, NMR shift and relaxation and the electronic spin of superconducting cuprates, Journal of Superconductivity and Novel Magnetism 33 (2020) 2621—2628.

T. Kołodziej, I. Biało, W. Tabiś, M. Zubko, J. Żukrowski, K. Łątka, J. E. Lorenzo, C. Mazzoli, Z. Kąkol, A. Kozłowski, Z. Tarnawski, E. Wilke, P. Babik, V. Chlan, R. Řezníček, H. Štěpánková, P. Novák, Y. Joly, J. Niewolski, J. M. Honig, Magnetic field induced structural changes in magnetite observed by resonant x-ray diffraction and Mössbauer spectroscopy, Phys. Rev. B 102 (2020) 075126.
 

D. Freude, J. Haase: Quadrupole Effects in Solid-state NMR, Basic Principles and Experimental Techniques for Nuclei with Half-integer Spins, www.quad-nmr.de (2013–2019)

M.A. Zaheer, D. Poppitz, K. Feyzullayeva, M. Wenzel, J. Matysik, R. Ljupkovic, A. Zarubica, A.A. Karavaev, A. Pöppl, R. Gläser, Synthesis of highly active ETS-10-based titanosilicate for heterogeneously catalyzed transesterification of triglycerides, Beilstein journal of nanotechnology 10 (2019) 2039-2061.

A. Werwein, C. Benndorf, M. Bertmer, A. Franz, O. Oeckler, H. Kohlmann, Hydrogenation Properties of LnAl2 (Ln= La, Eu, Yb), LaGa2, LaSi2 and the Crystal Structure of LaGa2H0. 71 (2), Crystals 9 (2019) 193.

C. Schneider, M. Mendt, A. Pöppl, V. Crocella, R.A. Fischer, Scrutinizing the Pore Chemistry and the Importance of Cu (I) Defects in TCNQ-Loaded Cu3 (BTC) 2 by a Multitechnique Spectroscopic Approach, ACS applied materials & interfaces 12 (2019) 1024-1035.

D. Michel, M. Bertmer, EPR and NMR study of nitric oxide-an interesting molecule for bio-medical applications, Magnetic Resonance and its Applications (2019) 46-46.

M. Mendt, P. Vervoorts, A. Schneemann, R.A. Fischer, A. Pöppl, Probing Local Structural Changes at Cu2+ in a Flexible Mixed-Metal Metal-Organic Framework by in Situ Electron Paramagnetic Resonance during CO2 Ad-and Desorption, The Journal of Physical Chemistry C 123 (2019) 2940-2952.

M. Mendt, S. Ehrling, I. Senkovska, S. Kaskel, A. Pöppl, Synthesis and Characterization of Cu–Ni Mixed Metal Paddlewheels Occurring in the Metal–Organic Framework DUT-8 (Ni0. 98Cu0. 02) for Monitoring Open-Closed-Pore Phase Transitions by X-Band Continuous Wave Electron Paramagnetic Resonance Spectroscopy, Inorganic chemistry 58 (2019) 4561-4573.

Albert, Jakob; Mendt, Matthias; Mozer, Michael; Voß, Dorothea (2019): Explaining the role of vanadium in homogeneous glucose transformation reactions using NMR and EPR spectroscopy. In: Applied Catalysis A: General 570, S. 262–270. DOI:10.1016/j.apcata.2018.10.030.

A. Kultaeva, W. Böhlmann, M. Hartmann, T. Biktagirov, A. Pöppl, Selective Gas Adsorption of Alkane/Alkene in a Single-Crystal and Powder Bimetallic Metal–Organic Framework Compound Cu2. 97Zn0. 03 (btc) 2 Studied by Electron Paramagnetic Resonance, The Journal of Physical Chemistry C 123 (2019) 26877-26887.

A. Kultaeva, W. Böhlmann, M. Hartmann, T. Biktagirov, A. Pöppl: Adsorption of Olefins at Cupric Ions in Metal−Organic Framework HKUST‑1 Explored by Hyperfine Spectroscopy, J. Phys. Chem. Lett. 10, (2019) 7657 – 7664.

T. Wylezich, R. Böttcher, A. D. Sontakke, V. Castaing, B. Viana, A.Pöppl, N. Kunkel: Lanthanide Ions a Local Probes in Ionic Hydrides: A Pulsed Electron Nuclear Double Resonance and Thermoluminescence Study of Eu^2+ Doped Hydride Perovskites , J. Phys. Chem. C 123, (2019) 5031−5041.

A.H. Khan, K. Peikert, F. Hoffmann, M. Fröba, M. Bertmer, Nitric Oxide Adsorption in Cu3btc2-Type MOFs—Physisorption and Chemisorption as NONOates, The Journal of Physical Chemistry C 123 (2019) 4299-4307.

A.H. Khan, D. Michel, M. Bertmer, Temperature dependent 15N NMR study of nitric oxide, Solid state nuclear magnetic resonance 101 (2019) 38-43.

M. Jurkutat, A. Erb, J. Haase, Tc and other cuprate properties in relation to planar charges as measured by NMR, Condensed Matter 4 (2019) 67.

M. Jurkutat, M. Avramovska, G.V. Williams, D. Dernbach, D. Pavićević, J. Haase, Phenomenology of 63 Cu Nuclear Relaxation in Cuprate Superconductors, Journal of Superconductivity and Novel Magnetism 32 (2019) 3369-3376.

R. Guehne, V. Chlan, G.V. Williams, S.V. Chong, K. Kadowaki, A. Pöppl, J. Haase, Unusual 209Bi NMR quadrupole effects in topological insulator Bi2Se3, Journal of Magnetic Resonance 302 (2019) 34-42.

R. Guehne, H. Auer, H. Kohlmann, J. Haase, M. Bertmer, Determination of element–deuterium bond lengths in Zintl phase deuterides by 2 H-NMR, Physical Chemistry Chemical Physics 21 (2019) 10594-10602.

A.A. Gabrienko, S.S. Arzumanov, A.V. Toktarev, D. Freude, J.r. Haase, A.G. Stepanov, Propylene Transformation on Zn-Modified Zeolite: Is There Any Difference in the Effect of Zn2+ Cations or ZnO Species on the Reaction Occurrence?, The Journal of Physical Chemistry C 123 (2019) 27573-27583.

D. Freude, N. Dvoyashkina, S.S. Arzumanov, D.I. Kolokolov, A.G. Stepanov, C. Chmelik, H. Jin, Y. Li, J. Kärger, J. Haase, NMR Study of the Host Structure and Guest Dynamics Investigated with Alkane/Alkene Mixtures in Metal Organic Frameworks ZIF-8, The Journal of Physical Chemistry C 123 (2019) 1904-1912.

J. Dietel, J. Gröger-Trampe, M. Bertmer, S. Kaufhold, K. Ufer, R. Dohrmann, Crystal structure model development for soil clay minerals–I. Hydroxy-interlayered smectite (HIS) synthesized from bentonite. A multi-analytical study, Geoderma 347 (2019) 135-149.

M. Bahadori, S. Tangestaninejad, M. Bertmer, M. Moghadam, V. Mirkhani, I. Mohammadpoor− Baltork, R. Kardanpour, F. Zadehahmadi, Task-specific ionic liquid functionalized–MIL–101 (Cr) as a heterogeneous and efficient catalyst for the cycloaddition of CO2 with epoxides under solvent free conditions, ACS Sustainable Chemistry & Engineering 7 (2019) 3962-3973.

M. Avramovska, D. Pavićević, J. Haase, Properties of the electronic fluid of superconducting cuprates from 63 Cu NMR shift and relaxation, Journal of Superconductivity and Novel Magnetism 32 (2019) 3761-3771.

S.S. Arzumanov, A.A. Gabrienko, A.V. Toktarev, Z.N. Lashchinskaya, D. Freude, J.r. Haase, A.G. Stepanov, Propane Transformation on Zn-Modified Zeolite. Effect of the Nature of Zn Species on Alkane Aromatization and Hydrogenolysis, The Journal of Physical Chemistry C 123 (2019) 30473-30485.

S.S. Arzumanov, A.A. Gabrienko, A.V. Toktarev, D. Freude, J. Haase, A.G. Stepanov, Propane activation on Zn-modified zeolite. The effect of the nature of Zn-species on the mechanism of H/D hydrogen exchange of the alkane with Brønsted acid sites, Journal of Catalysis 378 (2019) 341-352.

R. Řezníček, V. Chlan, J. Haase, NMR and ab initio study of gallium metal under pressure, Phys. Rev. B 99 (2019) 125121.

R. Wunderlich, J. Kohlrautz, B. Abel, J. Haase, J. Meijer, Investigation of room temperature multispin-assisted bulk diamond 13C hyperpolarization at low magnetic fields, Journal of Physics: Condensed Matter 30 (2018) 305803.

M. Šimėnas, M. Ptak, A.H. Khan, L. Dagys, V. Balevičius, M. Bertmer, G. Völkel, M. Ma̧czka, A. Pöppl, J.r. Banys, Spectroscopic study of [(CH3) 2NH2][Zn (HCOO) 3] hybrid perovskite containing different nitrogen isotopes, The Journal of Physical Chemistry C 122 (2018) 10284-10292.

M. Šimėnas, A. Ciupa, G. Usevičius, K. Aidas, D. Klose, G. Jeschke, M. Mączka, G. Völkel, A. Pöppl, J. Banys, Electron paramagnetic resonance of a copper doped [(CH 3) 2 NH 2][Zn (HCOO) 3] hybrid perovskite framework, Physical Chemistry Chemical Physics 20 (2018) 12097-12105.

D. Savchenko, A. Pöppl, A.H. Kassiba, CW and Pulse EPR Study of Paramagnetic Centers in Silicon Carbide Nanomaterials, Electron Paramagnetic Resonance in Modern Carbon-Based Nanomaterials 1 (2018) 225-242.

S. Reichardt, M. Jurkutat, R. Guehne, J. Kohlrautz, A. Erb, J. Haase, Bulk Charge Ordering in the CuO2 Plane of the Cuprate Superconductor YBa2Cu3O6. 9 by High-Pressure NMR, Condensed Matter 3 (2018) 23.

R. Pickenhain, M. Schmidt, H. von Wenckstern, G. Benndorf, A. Pöppl, R. Böttcher, M. Grundmann, Negative‐U Properties of the Deep Level E3 in ZnO, physica status solidi (b) 255 (2018) 1700670.

D. Michel, J. Haase, Solid State NMR in nanosized systems: MAS NMR studies in combination with pulsed field gradient techniques, Magnetic resonance and its applications. Spinus-2018 (2018) 45-45.

A. Kultaeva, V. Bon, M.S. Weiss, A. Pöppl, S. Kaskel, Elucidating the formation and transformation mechanisms of the switchable metal–organic framework ELM-11 by powder and single-crystal EPR study, Inorganic chemistry 57 (2018) 11920-11929.

A. Kultaeva, T. Biktagirov, P. Neugebauer, H. Bamberger, J. Bergmann, J. van Slageren, H. Krautscheid, A. Pöppl, Multifrequency EPR, SQUID, and DFT Study of Cupric Ions and Their Magnetic Coupling in the Metal–Organic Framework Compound∞ 3 [Cu (prz–trz–ia)], The Journal of Physical Chemistry C 122 (2018) 26642-26651.

A.H. Khan, B. Barth, M. Hartmann, J.r. Haase, M. Bertmer, Nitric oxide adsorption in MIL-100 (Al) MOF studied by solid-state NMR, The Journal of Physical Chemistry C 122 (2018) 12723-12730.

J. Kärger, D. Freude, J. Haase, Diffusion in nanoporous materials: novel insights by combining MAS and PFG NMR, Processes 6 (2018) 147.

S. Hwang, R. Semino, B. Seoane, M. Zahan, C. Chmelik, R. Valiullin, M. Bertmer, J. Haase, F. Kapteijn, J. Gascon, Revealing the Transient Concentration of CO2 in a Mixed‐Matrix Membrane by IR Microimaging and Molecular Modeling, Angewandte Chemie International Edition 57 (2018) 5156-5160.

N. Dvoyashkina, C.F. Seidler, M. Wark, D. Freude, J. Haase, Proton mobility in sulfonic acid functionalized mesoporous materials studied by MAS PFG NMR diffusometry and impedance spectroscopy, Microporous and Mesoporous Materials 255 (2018) 140-147.

N. Dvoyashkina, D. Freude, A.G. Stepanov, W. Böhlmann, R. Krishna, J. Kärger, J. Haase, Alkane/alkene mixture diffusion in silicalite-1 studied by MAS PFG NMR, Microporous and Mesoporous Materials 257 (2018) 128-134.

M. Dvoyashkin, N. Wilde, J. Haase, R. Gläser, Diffusion of methyl oleate in hierarchical micro-/mesoporous TS-1-based catalysts probed by PFG NMR spectroscopy, RSC advances 8 (2018) 38941-38944.

C. Chmelik, J. Caro, D. Freude, J. Haase, R. Valiullin, J. Kärger, Diffusive spreading of molecules in nanoporous materials, in:  Diffusive spreading in nature, technology and society, Vol., Springer, 2018, pp. 171-202.

V. Chlan, J. Żukrowski, A. Bosak, Z. Kąkol, A. Kozłowski, Z. Tarnawski, R. Řezníček, H. Štěpánková, P. Novák, I. Biało, J. M. Honig, Effect of low Zn doping on the Verwey transition in magnetite single crystals: Mössbauer spectroscopy and x-ray diffraction, Phys. Rev. B 98 (2018) 125138.

Spektrometer

Gemeinsam mit der Arbeitsgruppe AMR werden folgende Spektrometer für Festkörper-NMR-Spektroskopie (NMR = Nuclear Magnetic Resonance) genutzt.
Die Spektrometer haben supraleitende Magnete mit einem Raumtemperaturspalt von 90 mm.

  • NMR-Spektrometer AVANCE 750 (Bruker Biospin)
  • NMR-Spektrometer AVANCE 500 HD an ASCEND-Magnet (Bruker Biospin)
  • NMR-Spektrometer AVANCE 500 HD an Oxford-Magnet (Bruker Biospin)
  • NMR-Spektrometer Apollo 300 (Tecmag, Magnet: Bruker Biospin)
  • NMR-Spektrometer Apollo 400 (Tecmag, Magnet: Bruker Biospin)
  • NMR-Spektrometer AVANCE 400 (Bruker Biospin)
  • Feldgradienten-NMR-Spektrometer FEGRIS 100 (Eigenbau, Magnet: Bruker Biospin)

 

Für Untersuchungen mit der EPR Spektroskopie (EPR = Electron Paramagnetic Resonance) werden folgende Geräte mit Eisenmagneten eingesetzt:

  • Q-Band EPR-Spektrometer EMX 10-40 (Bruker Biospin)
  • X-Band EPR-Spektrometer EMX micro (Bruker Biospin)
  • X-Band Puls-EPR-Spektrometer ELEXYS E580 (Bruker Biospin)

Weitere Angaben sind auf der Großgeräte-Liste der Fakultät zu finden.