Publications

Below please find a list of publications produced within the framework of CRC 1573.

2024

A. S. Manvell, R. Pfleger, N. A. Bonde, M. Briganti, C. A. Mattei, T. B. Nannestad, H. Weihe, A. K. Powell, J. Ollivier, J. Bendix, M. Perfetti
LnDOTA puppeteering: removing the water molecule and imposing tetragonal symmetry
Chem. Sci. 2024, 15, 113-123, doi:10.1039/d3sc03928e.
Y. J. Franzke, F. Bruder, S. Gillhuber, C. Holzer, F. Weigend
Paramagnetic Nuclear Magnetic Resonance Shifts for Triplet Systems and Beyond with Modern Relativistic Density Functional Methods
J. Phys. Chem. A 2024, 128, 670-686, doi:10.1021/acs.jpca.3c07093.
A. Hauser, L. Münzfeld, C. Uhlmann, S. Lebedkin, S. Schlittenhardt, T.-T. Ruan, M. M. Kappes, M. Ruben, P. W. Roesky
It's not just the size that matters: crystal engineering of lanthanide-based coordination polymers
Chem. Sci. 2024, 15, 1338-1347, doi:10.1039/D3SC03746K.
Y. Peng, J. Braun, M. Schulze, H. Kaemmerer, Y. F. Schneider, C. E. Anson, W. Wernsdorfer, A. K. Powell
A nested spin structure and single molecule magnet behaviour in an Fe₈Dy₁₂ heterometallic cyclic coordination cluster
Dalton Trans. 2024, 53, 894-897, doi:10.1039/d3dt04141g.
L.-P. Faden, A. Reiß, R. Popescu, C. Donsbach, J. Göttlicher, T. Vitova, D. Gerthsen, C. Feldmann
Sc, Zr, Hf, and Mn Metal Nanoparticles: Reactive Starting Materials for Synthesis Near Room Temperature
Inorg. Chem. 2024, 63, 1020-1034, doi:10.1021/acs.inorgchem.3c03074.
J. Braun, D. Seufert, C. E. Anson, J. Tang, A. K. Powell
An Effectively Uncoupled Gd₈ Cluster Formed through Fixation of Atmospheric CO₂ Showing Excellent Magnetocaloric Properties
Int. J. Mol. Sci. 2024, 25, 264, doi:10.3390/ijms25010264.
A. Panja, S. Paul, E. Moreno-Pineda, R. Herchel, N. C. Jana, P. Brandão, G. Novitchi, W. Wernsdorfer
Insight into ferromagnetic interactions in Cu^II–Ln^III dimers with a compartmental ligand
Dalton Trans. 2024, 53, 2501-2511, doi:10.1039/d3dt03557c.
Y. R. Lohse, B. Weinert, B. Peerless, S. Dehnen
Synthesis of the (Sn₄Bi₄)^2- Anion by Mild Oxidation of (Sn₂Bi₂)^2-
Z. Anorg. Allg. Chem. 2024, e202300229, doi:10.1002/zaac.202300229.
N. Rauwolf, W. Klopper, C. Holzer
Non-linear light-matter interactions from the Bethe-Salpeter equation
J. Chem. Phys. 2024, 160, 061101, doi:10.1063/5.0191499.
N. Schwarz, F. Krätschmer, N. Suryadevara, S. Schlittenhardt, M. Ruben, P. W. Roesky
Synthesis, Structural Characterization, and Magnetic Properties of Lanthanide Arsolyl Sandwich Complexes
Inorg. Chem. 2024, 63, 9520-9526, doi:10.1021/acs.inorgchem.3c03374.
M. Aryaeifar, H. A. Rudbari, E. Moreno-Pineda, J. V. Cuevas-Vicario, S. Paul, M. Schulze, W. Wernsdorfer, F. Lloret, N. Moini, O. Blacque
Synthesis, characterization and magnetic properties of halogenated tetranuclear cubane-like nickel(II) complexes
New J. Chem. 2024, 48, 3603-3613, doi:10.1039/d3nj05585j.
X. Liao, E. Minamitani, T. Xie, L. Yang, W. Zhang, S. Klyatskaya, M. Ruben, Y.-S. Fu
Altering Spin Distribution of Tb₂Pc₃ via Molecular Chirality Manipulation
J. Am. Chem. Soc. 2024, 146, 5901-5907, doi:10.1021/jacs.3c11882.
F. Hennrich, S. Ito, P. Weis, M. Neumaier, S. Takano, T. Tsukuda, M. M. Kappes
Cyclic ion mobility of doped [MAu₂₄L₁₈]²⁻ superatoms and their fragments (M = Ni, Pd and Pt; L = alkynyl)
Phys. Chem. Chem. Phys. 2024, 26, 8408-8418, doi:10.1039/d3cp06192b.
F. Pan, B. Weinert, S. Dehnen
Effect of La³⁺ on the Formation of Endohedral Zintl Clusters Featuring In/Bi Shells
Inorg. Chem. 2024, 63, 9670-9675, doi:10.1021/acs.inorgchem.4c00192.
S. Wolf, R. Köppe, J. Treptow, W. Feuerstein, J. Wenzel, F. Breher, P. W. Roesky, F. Weigend, W. Klopper, C. Feldmann
[GeRu₆(CO)₁₈HI]: A Germanium-Centered Ruthenium Carbonyl Cluster with Aromatic Ring Current
Adv. Sci. 2024, 11, 2309043, doi:10.1002/advs.202309043.
C. Uhlmann, L. Münzfeld, A. Hauser, T.-T. Ruan, S. K. Kuppusamy, C. Jin, M. Ruben, K. Fink, E. Moreno-Pineda, P. W. Roesky
Unique Double and Triple Decker Arrangements of Rare-Earth 9,10-Diborataanthracene Complexes Featuring Single-Molecule Magnet Characteristics
Angew. Chem. Int. Ed. 2024, 63, e202401372, doi:10.1002/anie.202401372.
L. Winkler, E. Stapf, A. Hinz
Hydride Abstraction from a BH₄^– Anion in a Carbazolyl Lanthanum Boranate
Organometallics 2024, in press, doi:10.1021/acs.organomet.4c00095.
A. Hauser, L. Münzfeld, S. Schlittenhardt, C. Uhlmann, L. Leyen, E. Moreno-Pineda, M. Ruben, P. W. Roesky
Cycloheptatrienyl-Bridged Triple-Decker Complexes
J. Am. Chem. Soc. 2024, 146, 13760-13769, doi:10.1021/jacs.3c12214.
J. Komeda, A. K. Boudalis, N. Montenegro-Pohlhammer, C. Antheaume, A. Mizuno, P. Turek, M. Ruben
Selective Transition Enhancement in a g-Engineered Diradical
Chem. Eur. J. 2024, e202400420, doi:10.1002/chem.202400420.
D. Janković, J.-G. Hartmann, M. Ruben, P.-A. Hervieux
Noisy qudit vs multiple qubits: conditions on gate efficiency for enhancing fidelity
npj Quantum Information 2024, 10, 59, doi:10.1038/s41534-024-00829-6.
J. Braun, A. K. Powell, A.-N. Unterreiner
Gaining Insights into the Interplay between Optical and Magnetic Properties in Photoexcited Coordination Compounds
Chem. Eur. J. 2024, e202400977, doi:10.1002/chem.202400977.
T. Vitova, H. Ramanantoanina, B. Schacherl, L. Münzfeld, A. Hauser, R. S. K. Ekanayake, C. Y. Reitz, T. Prüßmann, T. S. Neill, J. Göttlicher, R. Steininger, V. A. Saveleva, M. W. Haverkort, P. W. Roesky
Photon-Modulated Bond Covalency of [Sm(II)(η⁹-C₉H₉)₂]
J. Am. Chem. Soc. 2024, 146, 20577-20583, doi:10.1021/jacs.3c13934.
A. Schäfer, S. Debnath, J. Tränkle, T. Mohr, M. M. Kappes
Acriflavine Is More than It Seems: Resolving Optical Properties of Multiple Isomeric Constituents at 5 K
J. Phys. Chem. Lett. 2024, 15, 7295-7301, doi:10.1021/acs.jpclett.4c01517.
Y. Yu, Y. Hao, B. Xiao, E. Langer, S. A. Novikov, H. Ramanantoanina, I. Pidchenko, D. Schild, T. E. Albrecht-Schoenzart, R.-A. Eichel, T. Vitova, E. V. Alekseev
U(V) Stabilization via Aliovalent Incorporation of Ln(III) into Oxo-salt Framework
Chem. Eur. J. 2024, 30, e202401033, doi:10.1002/chem.202401033.
L. Batista, S. Paul, C. Molina-Jirón, J. A. Jaén, D. Fenske, O. Fuhr, M. Ruben, W. Wernsdorfer, E. Moreno-Pineda
Magnetic behaviour of a spin-canted asymmetric lanthanide quinolate trimer
Dalton Trans. 2024, 53, 12927-12935, doi:10.1039/d4dt01588f.
F. Bruder, F. Weigend, Y. J. Franzke
Application of the Adiabatic Connection Random Phase Approximation to Electron−Nucleus Hyperfine Coupling Constants
J. Phys. Chem. A 2024, 128, 7298-7310, doi:10.1021/acs.jpca.4c03794.
A. M. Zytnick, S. M. Gutenthaler-Tietze, A. T. Aron, Z. L. Reitz, M. T. Phi, N. M. Good, D. Petras, L. J. Daumann, N. C. Martinez-Gomez
Identification and characterization of a small-molecule metallophore involved in lanthanide metabolism
PNAS 2024, 121, e2322096121, doi:10.1073/pnas.2322096121.
S. Schlittenhardt, E. Vasilenko, V. Unni C., N. Jobbitt, O. Fuhr, D. Hunger, M. Ruben, S. K. Kuppusamy
Spectral Hole-Burning Studies of a Mononuclear Eu(III) Complex Reveal Narrow Optical Linewidths of the ⁵D₀ → ⁷F₀ Transition and Seconds Long Nuclear Spin Lifetimes
ChemPhysChem 2024, e202400280, doi:10.1002/cphc.202400280.
A. Hinz, L. Winkler, X. Sun
CO Reduction by Calcium and Ytterbium Hydride Complexes with a Bulky Monodentate Carbazolyl Ligand
Chem. Commun. 2024, 60, 11291-11294, doi:10.1039/D4CC03714F.
E. Stapf, A. Hinz
Divalent Lanthanide Hydride Complexes
Eur. J. Inorg. Chem. 2024, accepted for publication, e202400593, doi:10.1002/ejic.202400593.
F. Flecken, S. Hanf
PPX/PXP-type ligands (X = O and S) and their transition metal complexes: synthesis, properties and applications
Dalton Trans. 2024, in press, doi:10.1039/D4DT02497D.
R. Nasser Din, A. C. Venu, T. Rudszuck, A. Vallet, A. Favier, A. K. Powell, G. Guthausen, M. Ibrahim, S. Krämer
Longitudinal and Transverse ¹H Nuclear Magnetic Resonance Relaxivities of Lanthanide Ions in Aqueous Solution up to 1.4 GHz/33 T
Molecules 2024, 29, 4956, doi:10.3390/molecules29204956.
S. K. Kumar, D. Hunger, M. Ruben, P. Goldner, D. Serrano
Spin-bearing molecules as optically addressable platforms for quantum technologies
Nanophotonics 2024, in press, doi:10.1515/nanoph-2024-0420.

2023

M. Rutschmann, C. Feldmann
Perylene dye@SiO₂ core-shell nanoparticles with intense fluorescence
J. Mater. Chem. C 2023, 11, 616-621, doi:10.1039/d2tc03981h.
L. Münzfeld, M. Dahlen, A. Hauser, N. Mahieu, S. K. Kuppusamy, J. Moutet, M. Tricoire, R. Köppe, L. La Droitte, O. Cador, B. Le Guennic, G. Nocton, E. Moreno-Pineda, M. Ruben,P. W. Roesky
Molecular Lanthanide Switches for Magnetism and Photoluminescence
Angew. Chem. Int. Ed. 2023, 62, e202218107, doi:10.1002/anie.202218107.
G. Taran, E. Bonet, E. Moreno-Pineda, M. Ruben, W. Wernsdorfer
Thermalization of Nuclear Spins in Lanthanide Molecular Magnets
Inorg. Chem. 2023, 62, 8598-8604, doi:10.1021/acs.inorgchem.3c00530.
S. Schäfer, S. Kaufmann, E. S. Rösch, P. W. Roesky
Divalent metallocenes of the lanthanides – a guideline to properties and reactivity
Chem. Soc. Rev. 2023, 52, 4006-4045, doi:10.1039/d2cs00744d.
G. Taran, E. Moreno-Pineda, M. Schulze, E. Bonet, M. Ruben, W. Wernsdorfer
Direct determination of high-order transverse ligand field parameters via µSQUID-EPR in a Et₄N[¹⁶⁰GdPc₂] SMM
Nat. Commun. 2023, 14, 3361, doi:10.1038/s41467-023-39003-5.
S. K. Kuppusamy, E. Vasilenko, W. Li, J. Hessenauer, C. Ioannou, O. Fuhr, D. Hunger, M. Ruben
Observation of Narrow Optical Homogeneous Linewidth and Long Nuclear Spin Lifetimes in a Prototypical [Eu(trensal)] Complex
J. Phys. Chem. C 2023, 127, 10670-10679, doi:10.1021/acs.jpcc.3c02903.
L. Münzfeld, A. Hauser, M. T. Gamer, P. W. Roesky
Mono-cyclononatetraenyl lanthanide complexes
Chem. Commun. 2023, 59, 9070-9073, doi:10.1039/d3cc02717a.
L. Münzfeld, S. Gillhuber, A. Hauser, S. Lebedkin, P. Hädinger, N. D. Knöfel, C. Zovko, M. T. Gamer, F. Weigend, M. M. Kappes, P. W. Roesky
Synthesis and properties of cyclic sandwich compounds
Nature 2023, 620, 92-96, doi:10.1038/s41586-023-06192-4.
Y. J. Franzke, C. Holzer, J. H. Andersen, T. Begušić, F. Bruder, S. Coriani, F. Della Sala, E. Fabiano, D. A. Fedotov, S. Fürst, S. Gillhuber, R. Grotjahn, M. Kaupp, M. Kehry, M. Krstić, F. Mack, S. Majumdar, B. D. Nguyen, S. M. Parker, F. Pauly, A. Pausch, E. Perlt, G. S. Phun, A. Rajabi, D. Rappoport, B. Samal, T. Schrader, M. Sharma, E. Tapavicza, R. S. Treß, V. Voora, A. Wodyński, J. M. Yu, B. Zerulla, F. Furche, C. Hättig, M. Sierka, D. P. Tew, F. Weigend
TURBOMOLE: Today and Tomorrow
J. Chem. Theory Comput. 2023, 19, 6859-6890, doi:10.1021/acs.jctc.3c00347.
A. Reiß, M. K. Reimann, R. Popescu, D. Gerthsen, R. Pöttgen, C. Feldmann
Chromium Metal Nanoparticles, Their Reactivity and Reactions
Z. Anorg. Allg. Chem. 2023, 649, e202300137, doi:10.1002/zaac.202300137.
T.-T. Ruan, E. Moreno-Pineda, M. Schulze, S. Schlittenhardt, T. Brietzke, H.-J. Holdt, S. K. Kuppusamy, W. Wernsdorfer, M. Ruben
Hilbert Space in Isotopologue Dy(III) SMM Dimers: Dipole Interaction Limit in [^163/164Dy₂(tmhd)₆(tape)]⁰ Complexes
Inorg. Chem. 2023, 62, 15148-15156, doi:10.1021/acs.inorgchem.3c02246.
K. Beuthert, B. Peerless, S. Dehnen
Insight into the formation of bismuth-tungsten carbonyl clusters
Commun. Chem. 2023, 6, 109, doi:10.1038/s42004-023-00905-6.
F. Bruder, Y. J. Franzke, C. Holzer, F. Weigend
Zero-Field Splitting Parameters within Exact Two-Component Theory and Modern Density Functional Theory Using Seminumerical Integration
J. Chem. Phys. 2023, 159, 194117, doi:10.1063/5.0175758.
A. Reiß, M. K. Reimann, C. Jin, M. Wachter-Lehn, R. K. Kremer, R. Pöttgen, K. Fink, W. Klopper, C. Feldmann
Experimental and computational study of the exchange interaction between the V(III) centers in the vanadium-cyclal dimer
Dalton Trans. 2023, 52, 17389-17397, doi:10.1039/D3DT03243D.
V. Rai, N. Balzer, G. Derenbach, C. Holzer, M. Mayor, W. Wulfhekel, L. Gerhard, M. Valášek
Hot Luminescence from Single-Molecule Chromophores Electrically and Mechanically Self-Decoupled by Tripodal Scaffolds
Nat. Commun. 2023, 14, 8253, doi:10.1038/s41467-023-43948-y.
S. Debnath, A. Schäfer, S. Ito, D. Strelnikov, R. Schneider, K. A. Haupa, M. M. Kappes
Vibrationally Resolved Absorption, Fluorescence, and Preresonance Raman Spectroscopy of Isolated Pyronin Y Cation at 5 K
J. Phys. Chem. Lett. 2023, 14, 10553-10560, doi:10.1021/acs.jpclett.3c02651.
A. Jain, H. Karmakar, P. W. Roesky, T. K. Panda
Role of Bis(phosphinimino)methanides as Universal Ligands in the Coordination Sphere of Metals across the Periodic Table
Chem. Rev. 2023, 123, 13323-13373, doi:10.1021/acs.chemrev.3c00336.

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