Publications

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

2025

S. V. Klementyeva, M. T. Gamer, M. Schulze, N. Suryadevara, A. S. Bogomyakov, P. A. Abramov, S. N. Konchenko, M. Ruben, W. Wernsdorfer, E. Moreno-Pineda
Dinuclear Rare-Earth β‑Diketiminates with Bridging 3,5-Ditert-butyl-catecholates: Synthesis, Structure, and Single-Molecule Magnet Properties
Inorg. Chem. 2025, 64, 701-715, doi:10.1021/acs.inorgchem.4c03278.
Y. Nakajima, P. Weis, F. Weigend, M. Lukanowski, F. Misaizu, M. M. Kappes
Lanthanide chloride clusters, Ln_xCl_3x+1^–, x = 1-6: an ion mobility and DFT study of isomeric structures and interconversion timescales
Phys. Chem. Chem. Phys. 2025, 27, 1017-1030, doi:10.1039/D4CP04057K.
C. Ritschel, L. J. Daumann, C. Feldmann
Inorganic-organic hybrid nanoparticles with carbonate-triggered emission-colour-shift
Dalton Trans. 2025, 54, 1348-1353, doi:10.1039/d4dt02344g.
R. F. Pfleger, M. Briganti, N. Bonde, J. Ollivier, J. Braun, T. Bergfeldt, S. Piligkos, T. Ruppert, C. E. Anson, M. Perfetti, J. Bendix, A. K. Powell
Dinuclear Dysprosium Compounds: The Importance of Rigid Bridges
Chem. Eur. J. 2025, 31, e202403002, doi:10.1002/chem.202403002.

2024

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.
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.
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.
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.
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.
R. N. 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.
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.
F. Flecken, S. Hanf
PPX/PXP-type ligands (X = O and S) and their transition metal complexes: synthesis, properties and applications
Dalton Trans. 2024, 53, 17123-17131, doi:10.1039/D4DT02497D.
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.
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.
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.
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.
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.
D. Jin, C. Uhlmann, E. K. Schneider, T. Seifert, D. Graf, S. Lebedkin, P. Weis, M. M. Kappes, P. W. Roesky
Tin-Chelated Trisphosphineoxide Scorpionate Rare-Earth Porphyrinate Complexes: Synthesis and Photophysical Properties
Inorg. Chem. 2024, 52, 24762-24770, doi:10.1021/acs.inorgchem.4c04065.
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.
S. K. Kumar, D. Hunger, M. Ruben, P. Goldner, D. Serrano
Spin-bearing molecules as optically addressable platforms for quantum technologies
Nanophotonics 2024, 13, 4357-4379, doi:10.1515/nanoph-2024-0420.
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.
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.
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.
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.
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. 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.
R. F. Pfleger, M. Briganti, N. Bonde, J. Ollivier, J. Braun, T. Bergfeldt, S. Piligkos, T. Ruppert, C. E. Anson, M. Perfetti, J. Bendix, A. K. Powell
Dinuclear Dysprosium Compounds: The Importance of Rigid Bridges
Chem. Eur. J. 2024, e202403002, doi:10.1002/chem.202403002.
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.
T.-T. Ruan, E. Moreno-Pineda, S. Paul, M. Schulze, S. Schlittenhardt, A. Mizuno, W. Wernsdorfer, M. Ruben
Modulating quantum tunnelling of magnetization in Dy isotopologue dimers
Dalton Trans. 2024, 53, 17281-17290, doi:10.1039/D4DT01769B.
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.
A. Schäfer, S. Giannini, D. Strelnikov, T. Mohr, F. Santoro, J. Cerezo, M. M. Kappes
Influence of symmetry breaking on the absorption spectrum of crystal violet: from isolated cations at 5 K to room temperature solutions
Phys. Chem. Chem. Phys. 2024, 26, 28514-28524, doi:10.1039/d4cp03825h.
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, 25, e202400280, doi:10.1002/cphc.202400280.
A. Schmidt, J. Rienmüller, F. Weigend, S. Dehnen
Affecting Charges and Structures of {Bi₆} Architectures by 12-Electron Transition Metal Fragments
Angew. Chem. Int. Ed. 2024, e202417234, doi:10.1002/anie.202417234.
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.
E. Stapf, A. Hinz
Divalent Lanthanide Hydride Complexes
Eur. J. Inorg. Chem. 2024, e202400593, doi:10.1002/ejic.202400593.
X. Sun, G. Nocton, P. W. Roesky
Advances in lanthanide cyclononatetraenyl chemistry
Chem. Commun. 2024, in press, doi:10.1039/D4CC05896H.
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.
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.
L. Winkler, E. Stapf, A. Hinz
Hydride Abstraction from a BH₄^– Anion in a Carbazolyl Lanthanum Boranate
Organometallics 2024, 43, 2387-2391, doi:10.1021/acs.organomet.4c00095.
L. Winkler, A. Hinz
Stabilisation of a Strontium Hydride with a Monodentate Carbazolyl Ligand and its Reactivity
Angew. Chem. Int. Ed. 2024, e202418558, doi:10.1002/anie.202418558.
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.
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.
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.

2023

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.
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.
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. 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.
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.
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.
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.
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.
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.
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.
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.
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. 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.
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.

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