Publications of the MPI für Kohlenforschung

Gui, X.; Auer, A. A. Electronic Structure Simulations of the Platinum/Support/Ionomer Interface in Proton Exchange Membrane Fuel Cells. Fuel Cells: from Fundamentals to Systems 2025, 25, e202400117.

Frank, N.; Leutzsch, M.; List, B. Bro̷nsted Acid-Catalyzed Reduction of Furans. Journal of the American Chemical Society 2025, 147, 7932–7938.

Reinhard, D. L.; Iniutina, A.; Reese, S.; Shaw, T.; Merten, C.; List, B.; Huber, S. M. Asymmetric Counteranion-Directed Halogen Bonding Catalysis. Journal of the American Chemical Society 2025.

Sun, Q.; Belting, J.-N.; Hauda, J.; Tymann, D.; Antoni, P. W.; Goddard, R.; Hansmann, M. M. Spiro-C(Sp³)-Atom Transfer: Creating Rigid Three-Dimensional Structures with Ph₂SCN₂. Science 2025, 387, 885–892.

Deplano, G.; Gerz, I.; Demirbas, D.; Centrella, B.; Bonomo, M.; DeBeer, S.; Bordiga, S.; Signorile, M.; Jannuzzi, S. A. V. Easing Intermediates Search by Combining Spectroscopy and Multivariate Curve Reconstruction: [Cu^I(6,6′-Dimethyl-2,2′-Bipyridyl)₂]PF₆ Oxidation as Case Study. The Journal of Physical Chemistry Letters 2025, 16, 1652–1659.

Depenbrock, F.; Bill, E.; van Gastel, M.; SantaLucia, D. J.; Walleck, S.; Oldengott, J.; Stammler, A.; Glaser, T. Activation of Electrophilic Reactivity by Protonation and Oxidation of a Peroxo Co^IIICo^III Complex: Reactivity and Molecular Structures of Hydroperoxo, Superoxo, and Peroxo Co^IIICo^III Complexes. Journal of the American Chemical Society 2025, 147, 5775–5784.

Stamoulis, A.; Mato, M.; Bruzzese, P. C.; Leutzsch, M.; Cadranel, A.; Gil-Sepulcre, M.; Neese, F.; Cornella, J. Red-Light-Active N,C,N-Pincer Bismuthinidene: Excited State Dynamics and Mechanism of Oxidative Addition into Aryl Iodides. Journal of the American Chemical Society 2025, 147, 6037–6048.

Saputra, M. E.; Muldarisnur, M.; Marlow, F.; Dahlan, D. Microscopic and Spectroscopic Investigation of Deposited Thin Opal Films Using an Electric Field Assisted Capillary Deposition Method. ScienceAsia 2025, 51, 2025004.

Kayal, R.; Baldinelli, L.; Harden, I.; Neese, F.; Bistoni, G. Understanding and Quantifying the Impact of Solute–Solvent Van der Waals Interactions on the Selectivity of Asymmetric Catalytic Transformations. Chemical Science 2025, 16, 2700–2709.

Feliciano, G. T.; Auer, A. A. Toward Explicit Solvation for Simulations of Electrocatalytic Reactions: AIMD for PKa and Redox Potentials of Transition Metal Compounds and Catalyst Models. The Journal of Physical Chemistry A 2025, 129, 1757–1768.

van der Worp, B. A.; Ritter, T. N-Protonated Acridinium Catalyst Enables Anti-Markovnikov Hydration of Unconjugated Tri- and Disubstituted Olefins. Journal of the American Chemical Society 2025, 147, 4736–4742.

Petersen, H.; Stegmann, N.; Schmidt, W.; Weidenthaler, C. Investigating the Reductive Phosphatization Reaction Pathway in the Synthesis of Transition Metal Phosphates: A Case Study on Titanium Phosphates. Inorganic Chemistry 2025, 64, 2425–2432.

Marlow, F.; Koehler, T.; Schmeink, J.; Schleberger, M. A Hidden Chemical Assembly Mechanism: Reconstruction-by-Reconstruction Cycle Growth in HKUST-1 MOF Layer Synthesis. ChemPhysChem 2025, e202400968.

Ahmadli, D.; Müller, S.; Xie, Y.; Smejkal, T.; Jaeckh, S.; Iosub, A. V.; Williams, S. R.; Ritter, T. Standardized Approach for Diversification of Complex Small Molecules Via Aryl Thianthrenium Salts. Journal of the American Chemical Society 2025, 147, 4268–4283.

Garcia-Padilla, E.; Qiu, G. Global Kinetic-Thermodynamic Responses: Derivation of a General Non-Linear Equation and Demonstrations on Chemical Reactions. ChemRxiv: the Preprint Server for Chemistry 2025.

Whitehurst, W. G.; Schulte, T.; Wang, Z.; Waldbach, F.; Ritter, T. Arene Ring Expansion by Ruthenium η⁶-Arene Complexes. Angewandte Chemie International Edition 2025, 64, e202421608.

Spinnato, D.; Nöthling, N.; Leutzsch, M.; van Gastel, M.; Wagner, L.; Neese, F.; Cornella, J. A Trimetallic Bismuth(I)-Based Allyl Cation. Nature Chemistry 2025, 17, 265–270.

Wahl, I. M.; Sengupta, K.; van Gastel, M.; Decamps, L.; DeBeer, S. Understanding the P-Cluster of Vanadium Nitrogenase: an EPR and XAS Study of the Holo Vs. Apo Forms of the Enzyme. ChemBioChem: A European Journal of Chemical Biology 2025, 26, e202400833.

Mermigki, M. A.; Drosou, M.; Pantazis, D. A. On the Nature of High-Spin Forms in the S₂ State of the Oxygen-Evolving Complex. Chemical Science 2025.

Kamatsos, F.; Drosou, M.; Zarkadoulas, A.; Bethanis, K.; Mitsopoulou, C. A. Enhanced Homogeneous Photocatalytic Hydrogen Evolution in a Binuclear Bio-Inspired Ni-Ni Complex Bearing Phenanthroline and Sulfidophenolate Ligands. Chemistry – A European Journal 2025, e202404396.