Prof. Dr. Carolin Müller
Department of Chemistry and Pharmacy
Juniorprofessur für die Theorie elektronisch angeregter Zustände
Nägelsbachstr. 25
91052 Erlangen
- Phone number: +49 9131 85-20406
- Fax number: +49 9131 85-20404
- Email: carolin.cpc.mueller@fau.de
- Website: https://www.chemistry.nat.fau.eu/cpc-group/
Publications
- Bagemihl, B., Müller, C., Shillito, G.E., Hartkorn, M., Mengele, A.K., Kupfer, S.,... Rau, S. (2024). Steering Photoinduced Electron Transfer in Intramolecular Photocatalysts by Peripheral Ligand Control. ChemistryEurope. https://doi.org/10.1002/ceur.202300084
- Gryn’ova, G., Bereau, T., Müller, C., Friederich, P., Wade, R.C., Nunes-Alves, A.,... Merz, K. (2024). EDITORIAL: Chemical Compound Space Exploration by Multiscale High-Throughput Screening and Machine Learning. Journal of Chemical Information and Modeling, 64(15), 5737-5738. https://doi.org/10.1021/acs.jcim.4c01300
- Mausenberger, S., Müller, C., Tkatchenko, A., Marquetand, P., González, L., & Westermayr, J. (2024). SpaiNN: equivariant message passing for excited-state nonadiabatic molecular dynamics. Chemical Science, 15(38), 15880-15890. https://doi.org/10.1039/d4sc04164j
- Góger, S., Sandonas, L.M., Müller, C., & Tkatchenko, A. (2023). Data-driven tailoring of molecular dipole polarizability and frontier orbital energies in chemical compound space. Physical Chemistry Chemical Physics, 25(33), 22211-22222. https://doi.org/10.1039/d3cp02256k
- Müller, C. (2023). Illuminating Photodynamics with Machine Learning Techniques.
- Müller, C., Kaufmann, M., Brandon, M.P., Cullen, A.A., Dietzek-Ivanšić, B., & Pryce, M.T. (2023). New Twist on the Light-Switch Effect: Controlling the Fate of Excited States with pH in a 4-Hydroxy-thiazol-extended Ruthenium(II) Dppz Complex. Journal of Physical Chemistry A. https://doi.org/10.1021/acs.jpca.3c06179
- Brueckmann, J., Müller, C., Maisuradze, T., Mengele, A.K., Nauroozi, D., Fauth, S.,... Rau, S. (2022). Pyrimidoquinazolinophenanthroline Opens Next Chapter in Design of Bridging Ligands for Artificial Photosynthesis**. Chemistry - A European Journal. https://doi.org/10.1002/chem.202200766
- Brückmann, J., Müller, C., Friedländer, I., Mengele, A.K., Peneva, K., Dietzek-Ivanšić, B., & Rau, S. (2022). Photocatalytic Reduction of Nicotinamide Co-factor by Perylene Sensitized RhIII Complexes**. Chemistry - A European Journal, 28(61). https://doi.org/10.1002/chem.202201931
- Müller, C., Bold, S., Chavarot-Kerlidou, M., & Dietzek-Ivanšić, B. (2022). Photoinduced electron transfer in triazole-bridged donor-acceptor dyads – A critical perspective. Coordination Chemistry Reviews, 472. https://doi.org/10.1016/j.ccr.2022.214764
- Müller, C., Pascher, T., Eriksson, A., Chabera, P., & Uhlig, J. (2022). KiMoPack: A python Package for Kinetic Modeling of the Chemical Mechanism. Journal of Physical Chemistry A, 126(25), 4087-4099. https://doi.org/10.1021/acs.jpca.2c00907
- Müller, C., Schwab, A., Randell, N.M., Kupfer, S., Dietzek-Ivanšić, B., & Chavarot-Kerlidou, M. (2022). A Combined Spectroscopic and Theoretical Study on a Ruthenium Complex Featuring a π-Extended dppz Ligand for Light-Driven Accumulation of Multiple Reducing Equivalents. Chemistry - A European Journal, 28(18). https://doi.org/10.1002/chem.202103882
- Müller, C., Wintergerst, P., Nair, S.S., Meitinger, N., Rau, S., & Dietzek-Ivanšić, B. (2022). Link to glow - iEDDA conjugation of a Ruthenium(II) tetrazine complex leading to dihydropyrazine and pyrazine complexes with improved 1O2 formation ability. Journal of Photochemistry and Photobiology, 11. https://doi.org/10.1016/j.jpap.2022.100130
- Pfeffer, M.G., Müller, C., Kastl, E.T.E., Mengele, A.K., Bagemihl, B., Fauth, S.S.,... Rau, S. (2022). Active repair of a dinuclear photocatalyst for visible-light-driven hydrogen production. Nature Chemistry, 14(5), 500-506. https://doi.org/10.1038/s41557-021-00860-6
- Zedler, L., Müller, C., Wintergerst, P., Mengele, A.K., Rau, S., & Dietzek-Ivanšić, B. (2022). Influence of the Linker Chemistry on the Photoinduced Charge-Transfer Dynamics of Hetero-dinuclear Photocatalysts. Chemistry - A European Journal, 28(35). https://doi.org/10.1002/chem.202200490
- Zedler, L., Wintergerst, P., Mengele, A.K., Müller, C., Li, C., Dietzek-Ivanšić, B., & Rau, S. (2022). Outpacing conventional nicotinamide hydrogenation catalysis by a strongly communicating heterodinuclear photocatalyst. Nature Communications, 13(1). https://doi.org/10.1038/s41467-022-30147-4
- Giannoudis, E., Bold, S., Müller, C., Schwab, A., Bruhnke, J., Queyriaux, N.,... Chavarot-Kerlidou, M. (2021). Hydrogen Production at a NiO Photocathode Based on a Ruthenium Dye-Cobalt Diimine Dioxime Catalyst Assembly: Insights from Advanced Spectroscopy and Post-operando Characterization. ACS Applied Materials and Interfaces, 13(42), 49802-49815. https://doi.org/10.1021/acsami.1c12138
- Hniopek, J., Müller, C., Bocklitz, T.W., Schmitt, M., Dietzek-Ivanšić, B., & Popp, J. (2021). Kinetic-Model-Free Analysis of Transient Absorption Spectra Enabled by 2D Correlation Analysis. Journal of Physical Chemistry Letters, 12, 4148-4153. https://doi.org/10.1021/acs.jpclett.1c00835
- Kaufmann, M., Müller, C., Cullen, A.A., Brandon, M.P., Dietzek, B., & Pryce, M.T. (2021). Photophysics of Ruthenium(II) Complexes with Thiazole π-Extended Dipyridophenazine Ligands. Inorganic Chemistry, 60(2), 760-773. https://doi.org/10.1021/acs.inorgchem.0c02765
- Maloul, S., van den Borg, M., Müller, C., Zedler, L., Mengele, A.K., Gaissmaier, D.,... Streb, C. (2021). Multifunctional Polyoxometalate Platforms for Supramolecular Light-Driven Hydrogen Evolution**. Chemistry - A European Journal, 27(68), 16846-16852. https://doi.org/10.1002/chem.202103817
- Micheel, M., Hniopek, J., Schwiedrzik, L., Hofmeister, E., Müller, C., Putra, M.H., & Wintergerst, P. (2021). Konferenzen und Corona - Routineaufgaben, digitale Kaffeepausen, Chatdiskussionen. Nachrichten aus der Chemie, 69(3), 8-11. https://doi.org/10.1002/nadc.20214106721
- Müller, C., Friedländer, I., Bagemihl, B., Rau, S., & Dietzek-Ivanšić, B. (2021). The electron that breaks the catalyst's back - excited state dynamics in intermediates of molecular photocatalysts. Physical Chemistry Chemical Physics, 23(48), 27397-27403. https://doi.org/10.1039/d1cp04498b
- Müller, C., Isakov, D., Rau, S., & Dietzek, B. (2021). Influence of the Protonation State on the Excited-State Dynamics of Ruthenium(II) Complexes with Imidazole π-Extended Dipyridophenazine Ligands. Journal of Physical Chemistry A, 125(27), 5911-5921. https://doi.org/10.1021/acs.jpca.1c03856
- Seidler, B., Sittig, M., Zens, C., Tran, J.H., Müller, C., Zhang, Y.,... Dietzek, B. (2021). Modulating the Excited-State Decay Pathways of Cu(I) 4 H-Imidazolate Complexes by Excitation Wavelength and Ligand Backbone. Journal of Physical Chemistry B, 125(41), 11498-11511. https://doi.org/10.1021/acs.jpcb.1c06902
- Mengele, A.K., Müller, C., Nauroozi, D., Kupfer, S., Dietzek, B., & Rau, S. (2020). Molecular scylla and charybdis: Maneuvering between pH sensitivity and excited-state localization in ruthenium Bi(benz)imidazole complexes. Inorganic Chemistry, 59(17), 12097-12110. https://doi.org/10.1021/acs.inorgchem.0c01022
- Müller, C., Schulz, M., Obst, M., Zedler, L., Gräfe, S., Kupfer, S., & Dietzek, B. (2020). Role of MLCT States in the Franck-Condon Region of Neutral, Heteroleptic Cu(I)-4 H-imidazolate Complexes: A Spectroscopic and Theoretical Study. Journal of Physical Chemistry A, 124(33), 6607-6616. https://doi.org/10.1021/acs.jpca.0c04351
- Wahyuono, R.A., Amthor, S., Müller, C., Rau, S., & Dietzek, B. (2020). Structure of Diethyl-Phosphonic Acid Anchoring Group Affects the Charge-Separated State on an Iridium(III) Complex Functionalized NiO Surface. Chemphotochem, 4(8), 618-629. https://doi.org/10.1002/cptc.202000038