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. WernsdorferA. 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. Wernsdorfe
    Insight into ferromagnetic interactions in CuII–LnIII 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. 202426, 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
     

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. 202319, 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.


Disclaimer: Although we aim to update this list regularly to the best of our knowledge, it does not claim to be complete. Should any further questions arise, please contact us: webmaster∂sfb1573.kit.edu.