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, in press, 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, in press, 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, 2309043, in press, doi:10.1002/advs.202309043.

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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