Publications
M. Tombers, J. Meyer, J. Meyer, A. Lawicki, V. Zamudio-Bayer, K. Hirsch, J. T. Lau, B. von Issendorff, A. Terasaki, T. A. Schlathölter, R. A. Hoekstra, S. Schmidt, A. K. Powell, E. Kessler, M. H. Prosenc, C. van Wüllen, G. Niedner-Schatteburg: Mn12-Acetate Complexes Studied as Single Molecules (https://doi.org/10.1002/chem.202102592), Chemistry – A European Journal 28 (2022) e202102592. [doi]
J. W. Blanchard, B. Ripka, B. A. Suslick, D. Gelevski, T. Wu, K. Münnemann, D. A. Barskiy, D. Budker: Towards Large-Scale Steady-State Enhanced Nuclear Magnetization with In Situ Detection (https://doi.org/10.1002/mrc.5161), Magnetic Resonance in Chemistry 59 (2021) 1208-1215. [doi]
J. Eills, E. Cavallari, R. Kircher, G. Di Matteo, C. Carrera, L. Dagys, M. H. Levitt, K. L. Ivanov, S. Aime, F. Reineri, K. Münnemann, D. Budker, G. Buntkowsky, S. Knecht: Singlet-Contrast Magnetic Resonance Imaging: Unlocking Hyperpolarization with Metabolism (https://doi.org/10.1002/anie.202014933), Angewandte Chemie International Edition 60 (2021) 6791-6798. [doi]
D. V. Fries, M. P. Klein, A. Steiner, M. H. Prosenc, G. Niedner-Schatteburg: Observation and Mechanism of Cryo N2 Cleavage by a Tantalum Cluster, Physical Chemistry Chemical Physics 23 (2021) 11345-11354. [doi]
E. Kessler, L. Ninni, T. Breug-Nissen, B. Willy, R. Schneider, M. Irfan, J. Rolker, W. R. Thiel, E. von Harbou, H. Hasse: Speciation in CO2-Loaded Aqueous Solutions of Sixteen Triacetoneamine-Derivates (EvAs) and Elucidation of Structure-Property Relationships, Chemical Engineering Science 229 (2021) 115999. [doi]
R. Kircher, H. Hasse, K. Münnemann: High Flow-Rate Benchtop NMR Spectroscopy Enabled by Continuous Overhauser DNP, Analytical Chemistry 93 (2021) 8897-8905. [doi]
S. Knecht, J. W. Blanchard, D. Barskiy, E. Cavallari, L. Dagys, E. Van Dyke, M. Tsukanov, B. Bliemel, K. Münnemann, S. Aime, F. Reineri, M. H. Levitt, G. Buntkowsky, A. Pines, P. Blümler, D. Budker, J. Eills: Rapid Hyperpolarization and Purification of the Metabolite Fumarate in Aqueous Solution, Proceedings of the National Academy of Sciences 118 (2021) e2025383118. [doi]
C. Malchau, T. Milbert, T. R. Eger, D. V. Fries, P. J. Pape, B. Oelkers, Y. Sun, S. Becker, M. H. Prosenc, G. Niedner-Schatteburg, W. R. Thiel: A Cyclometalated NHC Iridium Complex Bearing a Cationic (η5-Cyclopentadienyl)(η6-phenyl)iron Backbone** (https://doi.org/10.1002/chem.202102520), Chemistry – A European Journal 27 (2021) 15209-15217. [doi]
M. H. Prosenc, M. M. Kappes, G. Niedner-Schatteburg: Cooperative Effects in Heterometallic Complexes (https://doi.org/10.1002/chem.202103666), Chemistry – A European Journal 27 (2021) 15019-15020. [doi]
T. Specht, K. Münnemann, H. Hasse, F. Jirasek: Automated Methods for Identification and Quantification of Structural Groups from Nuclear Magnetic Resonance Spectra Using Support Vector Classification, Journal of Chemical Information and Modeling 61 (2021) 143-155. [doi]
E. Steimers, Y. Matviychuk, A. Friebel, K. Münnemann, E. von Harbou, D. J. Holland: A Comparison of Non-Uniform Sampling and Model-Based Analysis of NMR Spectra for Reaction Monitoring (https://doi.org/10.1002/mrc.5095), Magnetic Resonance in Chemistry 59 (2021) 221-236. [doi]
A. Straßner, C. Wiehn, M. P. Klein, D. V. Fries, S. Dillinger, J. Mohrbach, M. H. Prosenc, P. B. Armentrout, G. Niedner-Schatteburg: Cryo Spectroscopy of N2 on Cationic Iron Clusters, The Journal of Chemical Physics 155 (2021) 244305. [doi]
D. Bellaire, H. Kiepfer, K. Münnemann, H. Hasse: PFG-NMR and MD Simulation Study of Self-Diffusion Coefficients of Binary and Ternary Mixtures Containing Cyclohexane, Ethanol, Acetone, and Toluene, Journal of Chemical & Engineering Data 65 (2020) 793-803. [doi]
A. Friebel, T. Specht, E. von Harbou, K. Münnemann, H. Hasse: Prediction of Flow Effects in Quantitative NMR Measurements, Journal of Magnetic Resonance 312 (2020) 106683. [doi]
A. Friebel, E. von Harbou, K. Münnemann, H. Hasse: Online Process Monitoring of a Batch Distillation by Medium Field NMR Spectroscopy, Chemical Engineering Science 219 (2020) 115561. [doi]
F. Jirasek, J. Burger, H. Hasse: Application of NEAT for the Simulation of Liquid–Liquid Extraction Processes with Poorly Specified Feeds, Thermodynamics and Molecular-Scale Phenomena 66 (2020) e16826. [doi]
E. Kessler, L. Ninni, D. Vasiliu, A. Yazdani, B. Willy, R. Schneider, M. Irfan, J. Rolker, E. von Harbou, H. Hasse: Triacetoneamine-Derivates (EvAs) for CO2-Absorption from Process Gases, International Journal of Greenhouse Gas Control 95 (2020) 102932. [doi]
R. Kircher, N. Schmitz, J. Berje, K. Münnemann, W. R. Thiel, J. Burger, H. Hasse: Generalized Chemical Equilibrium Constant of Formaldehyde Oligomerization, Industrial & Engineering Chemistry Research 59 (2020) 11431-11440. [doi]
Y. Matviychuk, E. Steimers, E. von Harbou, D. J. Holland: Improving the Accuracy of Model-Based Quantitative NMR, Magnetic Resonance Discussions 10 (2020). [doi]
Y. Matviychuk, E. Steimers, E. von Harbou, D. J. Holland: Bayesian Approach for Automated Quantitative Analysis of Aenchtop NMR Data, Journal of Magnetic Resonance 319 (2020) 106814. [doi]
K. Münnemann, L. Buljubasich, M. B. Franzoni: Singlet Spin Order Originating from Para-H2, in: Long-lived Nuclear Spin Order: Theory and Applications, pp. 333-349, The Royal Society of Chemistry, ISBN 978-1-78801-568-4 (2020).
J. Neuhaus, E. von Harbou, H. Hasse: Spectroscopic Investigations of Solutions of Lithium Bis(fluorosulfonyl) Imide (LiFSI) in Valeronitrile, Polyhedron 183 (2020) 114458. [doi]
T. Specht, K. Münnemann, F. Jirasek, H. Hasse: Estimating Activity Coefficients of Target Components in Poorly Specified Mixtures with NMR Spectroscopy and COSMO-RS, Fluid Phase Equilibria 516 (2020) 112604. [doi]
E. Steimers, M. Sawall, R. Behrens, D. Meinhardt, J. Simoneau, K. Münnemann, K. Neymeyr, E. von Harbou: Application of a New Method for Simultaneous Phase and Baseline Correction of NMR Signals (SINC) (https://doi.org/10.1002/mrc.4964), Magnetic Resonance in Chemistry 58 (2020) 260-270. [doi]
R. Behrens, M. Dyga, G. Sieder, E. von Harbou, H. Hasse: NMR Spectroscopic Method for Studying Homogenous Liquid Phase Reaction Kinetics in Systems Used in Reactive Gas Absorption and Application to Monoethanolamine–Water–Carbon Dioxide, Chemical Engineering Journal 374 (2019) 1127-1137. [doi]
R. Behrens, E. Kessler, K. Münnemann, H. Hasse, E. von Harbou: Monoalkylcarbonate Formation in the System Monoethanolamine–Water–Carbon Dioxide, Fluid Phase Equilibria 486 (2019) 98-105. [doi]
A. Friebel, E. von Harbou, K. Münnemann, H. Hasse: Reaction Monitoring by Benchtop NMR Spectroscopy Using a Novel Stationary Flow Reactor Setup, Industrial & Engineering Chemistry Research 58 (2019) 18125-18133. [doi]
A. Fröscher, K. Langenbach, E. von Harbou, H. Hasse: Associating Lattice Cluster Theory and Application to Modeling Oleic acid + Formic Acid + Formoxystearic Acid, Thermodynamics and Molecular-Scale Phenomena 65 (2019) 783-791. [doi]
A. Fröscher, K. Langenbach, E. von Harbou, W. R. Thiel, H. Hasse: NMR Spectroscopic Study of Chemical Reactions in Mixtures Containing Oleic Acid, Formic Acid, and Formoxystearic Acid, Industrial & Engineering Chemistry Research 58 (2019) 5622-5630. [doi]
F. Jirasek, J. Burger, H. Hasse: NEAT—NMR Spectroscopy for the Estimation of Activity Coefficients of Target Components in Poorly Specified Mixtures, Industrial & Engineering Chemistry Research 58 (2019) 9155-9165. [doi]
F. Jirasek, J. Burger, H. Hasse: Application of NEAT for Determining the Composition Dependence of Activity Coefficients in Poorly Specified Mixtures, Chemical Engineering Science 208 (2019) 115161. [doi]
E. Kessler, L. Ninni, T. Breug-Nissen, B. Willy, R. Schneider, M. Irfan, J. Rolker, E. v. Harbou, H. Hasse: Physicochemical Properties of the System N,N-Dimethyl-dipropylene-diamino-triacetonediamine (EvA34), Water, and Carbon Dioxide for Reactive Absorption, Journal of Chemical & Engineering Data 64 (2019) 2368-2379. [doi]
J. Neuhaus, D. Bellaire, M. Kohns, E. von Harbou, H. Hasse: Self-Diffusion Coefficients in Solutions of Lithium Bis(fluorosulfonyl)imide with Dimethyl Carbonate and Ethylene Carbonate, Chemie Ingenieur Technik 91 (2019) 1633-1639. [doi]
A. Brächer, L. M. Kreußer, S. Qamar, A. Seidel-Morgenstern, E. von Harbou: Application of Quantitative Inline NMR Spectroscopy for Investigation of a Fixed-Bed Chromatographic Reactor Process, Chemical Engineering Journal 336 (2018) 518-530. [doi]
M. Braun, S. Häseli, F. Rösch, M. Piel, K. Münnemann: NMR Hyperpolarization of Established PET Tracers, ChemistrySelect 3 (2018) 5176-5184. [doi]
T. Buban, S. Puhl, P. Burger, M. H. Prosenc, J. Heck: Magnetic Properties of One-Dimensional Stacked Metal Complexes, in: R. Wiesendanger (ed.) Atomic- and Nanoscale Magnetism, pp. 89-116, Springer International Publishing, Cham, ISBN 978-3-319-99558-8 (2018).
F. Jirasek, J. Burger, H. Hasse: Method for Estimating Activity Coefficients of Target Components in Poorly Specified Mixtures, Industrial & Engineering Chemistry Research 57 (2018) 7310-7313. [doi]
E. Kessler, L. N. Schäfer, B. Willy, R. Schneider, M. Irfan, E. von Harbou, H. Hasse: Structure-Property Relationships for New Amines for Reactive CO2 Absorption, Chemical Engineering Transactions 69 (2018) 109-114. [doi]
B. Ripka, J. Eills, H. Kouřilová, M. Leutzsch, M. H. Levitt, K. Münnemann: Hyperpolarized Fumarate via Parahydrogen, Chemical Communications 54 (2018) 12246-12249. [doi]
M. Sawall, E. von Harbou, A. Moog, R. Behrens, H. Schröder, J. Simoneau, E. Steimers, K. Neymeyr: Multi-Objective Optimization for an Automated and Simultaneous Phase and Baseline Correction of NMR Spectral Data, Journal of Magnetic Resonance 289 (2018) 132-141. [doi]
R. Behrens, E. von Harbou, W. R. Thiel, W. Böttinger, T. Ingram, G. Sieder, H. Hasse: Monoalkylcarbonate Formation in Methyldiethanolamine–H2O–CO2, Industrial & Engineering Chemistry Research 56 (2017) 9006-9015. [doi]
J. Berje, J. Burger, H. Hasse, J. Baldamus: NMR Spectroscopic Study of Chemical Equilibria in Solutions of Formaldehyde, Water, and Butynediol, Reaction Engineering, Kinetics and Catalysis 63 (2017) 4442-4450. [doi]
A. Friebel, A. Fröscher, K. Münnemann, E. von Harbou, H. Hasse: In Situ Measurement of Liquid-Liquid Equilibria by Medium Field Nuclear Magnetic Resonance, Fluid Phase Equilibria 438 (2017) 44-52. [doi]
C. García-Fernández, E. Sierda, M. Abadía, B. Bugenhagen, M. H. Prosenc, R. Wiesendanger, M. Bazarnik, J. E. Ortega, J. Brede, E. Matito, A. Arnau: Exploring the Relation Between Intramolecular Conjugation and Band Dispersion in One-Dimensional Polymers, The Journal of Physical Chemistry C 121 (2017) 27118-27125. [doi]
Y. Matviychuk, E. von Harbou, D. J. Holland: An Experimental Validation of a Bayesian Model for Quantification in NMR Spectroscopy, Journal of Magnetic Resonance 285 (2017) 86-100. [doi]
E. Sierda, M. Abadia, J. Brede, M. Elsebach, B. Bugenhagen, M. H. Prosenc, M. Bazarnik, R. Wiesendanger: On-Surface Oligomerization of Self-Terminating Molecular Chains for the Design of Spintronic Devices, ACS Nano 11 (2017) 9200-9206. [doi]
E. von Harbou, R. Behrens, J. Berje, A. Brächer, H. Hasse: Studying Fast Reaction Kinetics with Online NMR Spectroscopy, Chemie Ingenieur Technik 89 (2017) 369-378. [doi]
M. Bazarnik, B. Bugenhagen, M. Elsebach, E. Sierda, A. Frank, M. H. Prosenc, R. Wiesendanger: Toward Tailored All-Spin Molecular Devices, Nano Letters 16 (2016) 577-582. [doi]
A. Brächer, R. Behrens, E. von Harbou, H. Hasse: Application of a New Micro-Reactor 1H NMR Probe Head for Quantitative Analysis of Fast Esterification Reactions, Chemical Engineering Journal 306 (2016) 413-421. [doi]
B. E. C. Bugenhagen, M. H. Prosenc: Direct C–C Coupling of Two Ni-salphen Complexes to Yield Dinickel-Disalphen Complexes with Symmetric and Non-Symmetric Substitution-Patterns, Dalton Transactions 45 (2016) 7460-7468. [doi]
T. Cheng, M. Mishkovsky, M. J. N. Junk, K. Münnemann, A. Comment: Producing Radical-Free Hyperpolarized Perfusion Agents for In Vivo Magnetic Resonance Using Spin-Labeled Thermoresponsive Hydrogel, Macromolecular Rapid Communications 37 (2016) 1074-1078. [doi]
D. Graafen, M. B. Franzoni, L. M. Schreiber, H. W. Spiess, K. Münnemann: Magnetic Resonance Imaging of 1H Long Lived States Derived from Parahydrogen Induced Polarization in a Clinical System, Journal of Magnetic Resonance 262 (2016) 68-72. [doi]
K. Malzahn, S. Ebert, I. Schlegel, O. Neudert, M. Wagner, G. Schütz, A. Ide, F. Roohi, K. Münnemann, D. Crespy, K. Landfester: Design and Control of Nanoconfinement to Achieve Magnetic Resonance Contrast Agents with High Relaxivity, Advanced Healthcare Materials 5 (2016) 567-574. [doi]
N. Schmitz, A. Friebel, E. von Harbou, J. Burger, H. Hasse: Liquid-Liquid Equilibrium in Binary and Ternary Mixtures Containing Formaldehyde, Water, Methanol, Methylal, and Poly(oxymethylene) dimethyl ethers, Fluid Phase Equilibria 425 (2016) 127-135. [doi]
O. Steinhof, G. Scherr, H. Hasse: Investigation of the Reaction of 1,3-Dimethylurea with Formaldehyde by Quantitative On-LOine NMR Spectroscopy: a Model for the Urea–Formaldehyde System (https://doi.org/10.1002/mrc.4274), Magnetic Resonance in Chemistry 54 (2016) 457-476. [doi]