Dr. Stephan Kupfer
Stephan Kupfer received his PhD in 2013 from the Friedrich-Schiller-University Jena, Germany, where he is currently a group leader in the Physical Chemistry Department. His research is focused on the theoretical modeling of photo-induced processes, i.e., in the fields of solar energy conversion and plasmonic hybrid systems. For light-harvesting applications, either in the scope of (dye-sensitized) solar cells or light-driven water-splitting, detailed understanding of the fundamental photophysics and photochemistry is of uttermost importance. Therefore, he aims to elucidate as well as to tune excited state relaxation dynamics in (supra)molecular photocatalysts and light-harvesting antenna associated to electron and energy transfer processes, i.e., charge separation, charge recombination and photodegradation.
Photo-induced electron transfer
Image: Dr. Stephan KupferFurthermore, his research involves the theoretical description of plasmon-enhanced spectroscopy, i.e., in the scope of tip-enhanced Raman spectroscopy. Therefore, he aims for an holistic approach combining the electromagnet effect as well as the chemical effect including non-resonant, resonant and charge transfer contributions.
Tip
Image: Dr. Stephan Kupfer-
2024
- Piotr Matczak, Philipp Buday, Stephan Kupfer, Helmar Görls, Grzegorz Mlostoń, Wolfgang Weigand: Probing the performance of DFT in the structural characterization of [FeFe] hydrogenase modelsExternal link, J. Comput. Chem. (2024), doi: 10.1002/jcc.27515External link
- B. Bagemihl, C. Müller, G. E. Shillito, M. Hartkorn, A. K. Mengele, S. Kupfer, B. Dietzek-Ivanšić, S. Rau: Steering Photoinduced Electron Transfer in Intramolecular Photocatalysts by Peripheral Ligand ControlExternal linkChemistryEurope (2024), e202300084. doi: 10.1002/ceur.202300084External link
- Nina Hagmeyer, Alexander Schwab, Nabil Mroweh, Caitlin McManus, Maneesha Varghese, Jean-Marie Mouesca, Serge Gambarelli, Stephan Kupfer, Murielle Chavarot-Kerlidou, Benjamin Dietzek-Ivanšić: Spectroscopic Investigation of a Ruthenium Tris-diimine Complex Featuring a Bioinspired Alloxazine LigandExternal link. ChemPhotoChem (2024), doi: 10.1002/cptc.202400175External link
- Volkan Caliskanyürek, Anastasiia Riabchunova, Stephan Kupfer, Fan Ma, Jia-Wei Wang, and Michael Karnahl: Exploring the Potential of Al(III) Photosensitizers for Energy Transfer Reactions.External link Inorg. Chem. (2024), doi: 10.1021/acs.inorgchem.4c01922External link
- Sadaf Ehtesabi, Martin Richter, Stephan Kupfer, and Stefanie Gräfe: Assessing Plasmon-Induced Reactions by a Combined Quantum Chemical-Quantum/Classical Hybrid Approach.External link Nanoscale, 2024, Accepted Manuscript. doi: 10.1039/D4NR02099EExternal link
- Kamil Witas, Shruthi Santhosh Nair, Tamar Maisuradze, Linda Zedler, Heiner Schmidt, Pablo Garcia-Porta, Alexandra Stefanie Jessica Rein, Tim Bolter, Sven Rau, Stephan Kupfer, Benjamin Dietzek-Ivanšić, and Dieter U. Sorsche: Beyond the First Coordination Sphere─Manipulating the Excited-State Landscape in Iron(II) Chromophores with ProtonsExternal link. J. Am. Chem. Soc. (2024), doi: 10.1021/jacs.4c00552External link
- Christiane Höppener, Javier Aizpurua, Huan Chen, Stefanie Gräfe, Ado Jorio, Stephan Kupfer, Zhenglong Zhang, and Volker Deckert: Tip-enhanced Raman scattering.External link Nat Rev Methods Primers 4, 47 (2024), doi: 10.1038/s43586-024-00323-5External link
- Chizuru Kasahara, Katharina Rediger, Mathias Micheel, Phil Liebing, Stefanie Gräfe, Stephan Kupfer, Maria Wächtler, and Wolfgang Weigand: Molecular Dyad vs Multi-component Approach – Photocatalytic Hydrogen Evolution by Combining Oligothiophene Photosensitizers with [FeFe]-hydrogenase MimicsExternal link. ChemCatChem (2024), e202400247, doi: 10.1002/cctc.202400247External link
- Robin Kampes, Avinash Chettri, Maria Sittig, Guangjun Yang, Stefan Zechel, Stephan Kupfer, Martin D. Hager, Benjamin Dietzek-Ivanšić, Ulrich S. Schubert: An Iridium Complex as Bidentate Halogen Bond-Based Anion Receptor Featuring an IncreasedOptical ResponseExternal link. ChemistryOpen (2024), e202300183. doi: 10.1002/open.202300183External link
- Narayan Sinha, Joël Wellauer, Tamar Maisuradze, Alessandro Prescimone, Stephan Kupfer, and Oliver S. Wenger: Reversible Photoinduced Ligand Substitution in a Luminescent Chromium(0) ComplexExternal link. J. Am. Chem. Soc. (2024), doi: 10.1021/jacs.3c13925External link
- Jia- Wei Wang, Zhi- Mei Luo, Guangjun Yang, Marcos Gil-Sepulcre, Stephan Kupfer, Olaf Rüdiger, and Gangfeng Ouyang: Highly efficient electrocatalytic CO2 reduction by a CrIII quaterpyridine complex. PNAS 121(14), (2024), doi: 10.1073/pnas.2319288121External link
- Georgina E. Shillito, Dan Preston, James D. Crowley, Pawel Wagner, Samuel J. Harris, Keith C. Gordon, and Stephan Kupfer: Controlling Excited State Localization in Bichromophoric Photosensitizers via the Bridging GroupExternal link. Inorg. Chem. (2024), doi: acs.inorgchem.3c04110External link
- Sebastian Knoll, Clara Zens, Tamar Maisuradze, Heiner Schmidt, Stephan Kupfer, Linda Zedler, Benjamin Dietzek-Ivanšić, and Carsten Streb: Light-Induced Charge Separation in Covalently Linked BODIPY-Quinone-Alkyne DyadsExternal link. Chem. Eur. J. (2024), e202303250, doi: 10.1002/chem.202303250External link
- Christina Wegeberg, Daniel Häussinger, Stephan Kupfer, and Oliver S. Wenger: Controlling the Photophysical Properties of a Series of Isostructural d6 Complexes Based on Cr0, MnI, and FeII. J. Am. Chem. Soc., Article ASAP, doi: 10.1021/jacs.3c11580External link
- Xiaobin Yao, Sadaf Ehtesabi, Christiane Höppener, Tanja Deckert-Gaudig, Henrik Schneidewind, Stephan Kupfer, Stefanie Gräfe, and Volker Deckert: Mechanism of Plasmon-Induced Catalysis of Thiolates and the Impact of Reaction ConditionsExternal link, J. Am. Chem. Soc. (2024). doi: 10.1021/jacs.3c09309External link
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2023
- Linda Zedler, Stephan Kupfer, Heiner Schmidt, Benjamin Dietzek-Ivansic: Oxidation-state sensitive light-induced dynamics of Ruthenium-4H-Imidazole complexesExternal link. Chem. Eur. J. 2023, e202303079, doi: 10.1002/chem.202303079External link
- Tianbai Huang, Stephan Kupfer, Robert Geitner, and Stefanie Gräfe: Computational Modelling and Mechanistic Insight into Light-Driven CO Dissociation of Square-Planar Rhodium(I) ComplexesExternal link, ChemPhotoChem 2023, e202300219, doi: 10.1002/cptc.202300219External link
- Zhandong Li, Joel Rigor, Sadaf Ehtesabi, Siddhi Gojare, Stephan Kupfer, Stefanie Gräfe, Nicolas Large, and Dmitry Kurouski: Role of Plasmonic Antenna in Hot Carrier-Driven Reactions on Bimetallic NanostructuresExternal link. J. Phys. Chem. C (2023), doi: 10.1021/acs.jpcc.3c06520External link
- Zhandong Li, Sadaf Ehtesabi, Siddhi Gojare, Martin Richter, Stephan Kupfer, Stefanie Gräfe, and Dmitry Kurouski: Plasmon-Determined Selectivity in Photocatalytic Transformations on Gold and Gold–Palladium Nanostructures.External linkACS Photonics Article ASAP, DOI: 10.1021/acsphotonics.3c00893External link
- Kevin Fiederling, Mostafa Abasifard, Martin Richter, Volker Deckert, Stephan Kupfer, and Stefanie Gräfe: A Full Quantum Mechanical Approach Assessing the Chemical and Electromagnetic Effect in TERS.External link ACS Nano Article ASAP, doi: 10.1021/acsnano.2c11855External link.
- Guangjun Yang, Georgina E. Shillito, Clara Zens, Benjamin Dietzek-Ivanšić, Stephan Kupfer: The three kingdoms — Photoinduced electron transfer cascades controlled by electronic couplings.External link J. Chem. Phys. (2023) 159 (2): 024109. doi: 10.1063/5.0156279External link
- Keshav Kumar Jha, Amrutha Prabhakaran, Rengel Cane Sia, Ruben Arturo Arellano Reyes, Nirod Kumar Sarangi, Tingxiang Yang, Krishan Kumar, Stephan Kupfer, Julien Guthmuller, Tia Keyes, Benjamin Dietzek-Ivansic: Triplet Formation and Triplet-Triplet Annihilation Upconversion in Iodine Substituted Non-Orthogonal BODIPY-Perylene DyadsExternal link. ChemPhotoChem, (2023), e202300073, doi: 10.1002/cptc.202300073External link
- Fabian Seifert, Helmar Görls, Stephan Kupfer, and Robert Kretschmer: A tetranuclear magnesium hydride cluster with a four-coordinate hydride in near square-planar geometry.External linkChem. Commun. (2023), doi: 10.1039/D3CC01608KExternal link
- Daniel Costabel, Ratnadip De, Franz Jacobi, Jonas Eichhorn, Konrad Hotzel, Afshin Nabiyan, Christof Neumann, Andrey Turchanin, Stephan Kupfer, Felix H. Schacher, Sven Rau, Benjamin Dietzek-Ivanšić, Kalina Peneva: Bridging Platinum and Palladium to Bipyridine-Annulated Perylene for Light-Driven Hydrogen EvolutionExternal link. ACS Catal. 13, (2023), 7159–716, doi: 10.1021/acscatal.3c01201External link
- Daniel Costabel, Afshin Nabiyan, Avinash Chettri, Franz Jacobi, Magdalena Heiland, Julien Guthmuller, Stephan Kupfer, Maria Wächtler, Benjamin Dietzek-Ivanšić, Carsten Streb, Felix H. Schacher, and Kalina Peneva: Diiodo-BODIPY Sensitizing of the [Mo3S13]2– Cluster for Noble-Metal-Free Visible-Light-Driven Hydrogen Evolution within a Polyampholytic Matrix.External linkACS Applied Materials & Interfaces, DOI: 10.1021/acsami.2c18529External link
- Stefan Benndorf, Philipp Buday, Benedikt Callies, Helmar Görls, Stephan Kupfer, and Wolfgang Weigand: NMP makes the Difference – Facilitated Synthesis of [FeFe] Hydrogenase MimicsExternal link. Dalton Trans., 2023, Accepted Manuscript, doi: 10.1039/D3DT00796KExternal link
- Sebastian Seidenath, Phillip Seeber, Stephan Kupfer, Stefanie Gräfe, Wolfgang Weigand, Grzegorz Mlostoń, Piotr Matczak: Theoretical insights into the spectroscopic properties of ferrocenyl hetaryl ketones.External link Spectrochim. Ac. A, (2023), 122635, doi: 10.1016/j.saa.2023.122635External link.
- Jia-Wei Wang, Zizi Li, Zhi-Mei Luo, Yanjun Huang, Fan Ma, Stephan Kupfer , and Gangfeng Ouyang: Boosting COExternal link2 photoreduction by π–π-induced preassembly between a Cu(I) sensitizer and a pyrene-appended Co(II) catalyst.External link PNAS 120(13), (2023), doi: 10.1073/pnas.2221219120External link
- Martin Lämmle, Alexander K. Mengele, Georgina E Shillito, Stephan Kupfer, and Sven Rau: Stability of Catalytic Centres in Light-driven Hydrogen Evolution by Oligonuclear PhotocatalystsExternal link. Chem. Eur. J., e202202722, (2023), doi: 10.1002/chem.202202722External link
- Georgina Ellen Shillito, Sven Rau, Stephan Kupfer: Plugging the 3MC Sink in Ru(II)-Based PhotocatalystsExternal link. ChemCatChem. (2023) Accepted Author Manuscript. doi: 10.1002/cctc.202201489External link
- Christian Friebe, Clara Zens, Stephan Kupfer, and Ulrich S. Schubert: Additive-Free Organic Radical Batteries Prepared through Electrochemical Polymerization of TEMPO-Decorated Terthiophene. External link J. Phys. Chem. C 2023 127 (3), 1333-1344, DOI: 10.1021/acs.jpcc.2c08069External link
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2022
- J. W. Wang, F. Ma, T. Jin, P. He, Z. M. Luo, S. Kupfer, et al.: Homoleptic Al(III) Photosensitizers for Durable COExternal link2 PhotoreductionExternal link. J. Am. Chem. Soc. (2022), doi:10.1021/jacs.2c11740External link
- Clara Zens, Christian Friebe, Ulrich S. Schubert, Martin Richter, Stephan Kupfer: Tailored Charge Transfer Kinetics in Precursors for Organic Radical Batteries - A Joint Synthetic-Theoretical ApproachExternal link. ChemSusChem.(2022), Accepted Author Manuscript. https://doi.org/10.1002/cssc.202201679External link
- Tianyi Dou, Clara Zens, Katrin Schröder, Yuan Jiang, Alexey A. Makarov, Stephan Kupfer, and Dmitry Kurouski: Solid-to-Liposome Conformational Transition of Phosphatidylcholine and Phosphatidylserine Probed by Atomic Force Microscopy, Infrared Spectroscopy, and Density Functional Theory CalculationsExternal link. Anal. Chem. (2022), doi:10.1021/acs.analchem.2c03061External link
- Tianbai Huang, Stephan Kupfer, Martin Richter, Stefanie Gräfe, and Robert Geitner: Bidentate Rh(I)-Phosphine Complexes for the C-H Activation of Alkanes: Computational Modelling and Mechanistic Insight.External link ChemCatChem. Accepted Author Manuscript. (2022), doi: 10.1002/cctc.202200854 External link
- Piotr Matczak, Stephan Kupfer, Grzegorz Mlostoń, Philipp Buday, Helmar Görls, and Wolfgang Weigand: Metal-ligand bonding in tricarbonyliron(0) complexes bearing thiochalcone ligandsExternal link. New J. Chem., (2022), Advance Article, doi: 10.1039/D2NJ01315KExternal link
- Jannik Brückmann, Carolin Müller, Tamar Maisuradze, Alexander K Mengele, Djawed Nauroozi, Sven Fauth, Andreas Gruber, Stefanie Gräfe, Kerstin Leopold, Stephan Kupfer, Benjamin Dietzek-Ivanšić, and Sven Rau: Pyrimidoquinazolinophenanthroline opens next chapter in design of bridging ligands for artificial photosynthesisExternal link. Chem. Eur. J., accepted. doi: 10.1002/chem.202200766External link
- Patrick Herr, Alexander Schwab, Stephan Kupfer, Oliver S. Wenger: Deep-Red Luminescent Molybdenum(0) Complexes with Bi- and Tridentate Isocyanide Chelate LigandsExternal link. ChemPhotoChem (2022), doi:10.1002/cptc.202200052External link
- Ahmad Q. Daraosheh, Hassan Abul-Futouh, Natsuki Murakami, Karl Michael Ziems, Helmar Görls, Stephan Kupfer, Stefanie Gräfe, Akihiko Ishii, Małgorzata Celeda, Grzegorz Mlostoń, and Wolfgang Weigand: Novel [FeFe]-Hydrogenase Mimics: Unexpected Course of the Reaction of Ferrocenyl α-Thienyl Thioketone with FeExternal link3(CO)External link12. Materials, 15(8), 2867, (2022) DOI:10.3390/ma15082867External link
- Jia-Wei Wang, Hai-Hua Huang, Ping Wang, Guangjun Yang, Stephan Kupfer, Yanjun Huang, Zizi Li, Zhuofeng Ke, and Gangfeng Ouyang: Co-facial π-π Interaction Expedites Sensitizer-to-Catalyst Electron Transfer for High-Performance COExternal link2 PhotoreductionExternal link. JACS Au, (2022), doi:10.1021/jacsau.2c00073External link
- Carolin Müller, Alexander Schwab, Nicholas M. Randell, Stephan Kupfer, Benjamin Dietzek-Ivanšić, Murielle Chavarot-Kerlidou: A Combined Spectroscopic and Theoretical Study on a Ruthenium Complex Featuring a π-Extended dppz Ligand for Light-Driven Accumulation of Multiple Reducing EquivalentsExternal link. Chem. Eur. J., (2022), e202103882, DOI: 10.1002/chem.202103882External link
- Stephan Kupfer, Maria Wächtler, Julien Guthmuller: Light-Driven Multi-Charge Separation in a Push-Pull Ruthenium-based Photosensitizer - Assessed by RASSCF and TDDFT SimulationsExternal link. ChemPhotoChem. Accepted Author Manuscript. (2022) https://doi.org/10.1002/cptc.202200010External link
- Philipp Buday, Chizuru Kasahara, Elisabeth Hofmeister, Daniel Kowalczyk, Micheal K. Farh, Saskia Riediger, Martin Schulz, Maria Wächtler, Shunsuke Furukawa, Masaichi Saito, Dirk Ziegenbalg, Stefanie Gräfe, Peter Bäuerle, Stephan Kupfer, Benjamin Dietzek-Ivanšić, Wolfgang Weigand: Activating a [FeFe] Hydrogenase Mimic for Hydrogen Evolution under Visible Light.External link Angew. Chem. Int. Ed.. Accepted Author Manuscript. (2022) https://doi.org/10.1002/anie.202202079External link
- Michael G. Pfeffer, Carolin Müller, Evelyn T. E. Kastl, Alexander K. Mengele, Benedikt Bagemihl, Sven S. Fauth, Johannes Habermehl, Lydia Petermann, Maria Wächtler, Martin Schulz, Daniel Chartrand, François Laverdière, Phillip Seeber, Stephan Kupfer, Stefanie Gräfe, Garry S. Hanan, Johannes G. Vos, Benjamin Dietzek-Ivanšić, and Sven Rau: Active repair of a dinuclear photocatalyst for visible-light-driven hydrogen productionExternal link. Nat. Chem. (2022), doi: 10.1038/s41557-021-00860-6External link
- Flavio L. Portwich, Yves Carstensen, Anindita Dasgupta, Stephan Kupfer, Ralf Wyrwa, Helmar Görls, Christian Eggeling, Benjamin Dietzek, Stefanie Gräfe, Maria Wächtler, Robert Kretschmer: A Highly Fluorescent Dinuclear Aluminium Complex with Near-Unity Quantum YieldExternal link, Angew. Chem. Int. Ed.. Accepted Author Manuscript. doi: 10.1002/anie.202117499External link
- Gergely Knorr, Daniel Costabel, Artem Skabeev, Christof Neumann, Jan Brossette, Stephan Kupfer, Andrey Turchanin, Wolfgang Weigand, Kalina Peneva: Towards synthetic unimolecular [Fe2S2]-photocatalysts sensitized by perylene dyesExternal link. Dyes and Pigments, 198, 109940, (2022), doi:10.1016/j.dyepig.2021.109940External link
- Stefan Benndorf,Elisabeth Hofmeister,Maria Wächtler,Helmar Görls,Phil Liebing,Kalina Peneva,Stefanie Gräfe,Stephan Kupfer,Benjamin Dietzek,Wolfgang Weigand: Unravelling the Mystery: Enlightenment of the Uncommon Electrochemistry of Naphthalene Monoimde [FeFe] Hydrogenase MimicsExternal link. Eur. J. Inorg. Chem., (2022), doi:10.1002/ejic.202100959External link
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2021
- Avinash Chettri,J an-Hendrik Kruse, Keshav Kumar Jha, Lara Dröge, Iuliia Romanenko, Christof Neumann, Stephan Kupfer, Andrey Turchanin, Sven Rau, Felix H. Schacher, Benjamin Dietzek: A Molecular Photosensitizer in a Porous Block Copolymer Matrix-Implications for the Design of Photocatalytically Active Membranes.External link Chem. Eur. J., 27, 17049, (2021), doi: 10.1002/chem.202102377External link
- Emmanouil Giannoudis, Sebastian Bold, Carolin Müller, Alexander Schwab, Jakob Bruhnke, Nicolas Queyriaux, Corinne Gablin, Didier Leonard, Christine Saint-Pierre, Didier Gasparutto, Dmitry Aldakov, Stephan Kupfer, Vincent Artero, Benjamin Dietzek, and Murielle Chavarot-Kerlidou: Hydrogen Production at a NiO Photocathode Based on a Ruthenium Dye-Cobalt Diimine Dioxime Catalyst Assembly: Insights from Advanced Spectroscopy and Post-operando CharacterizationExternal link. ACS Appl. Mater. Interfaces, 13(42), 49802-49815, (2021), doi:10.1021/acsami.1c12138External link
- Miftahussurur Hamidi Putra, Sebastian Seidenath, Stephan Kupfer, Stefanie Gräfe, Axel Groß: Coupling of photoactive transition metal complexes to a functional polymer matrixExternal link, Chem. Eur. J., 27, 17104, (2021), doi:10.1002/chem.202102776External link
- Cetindere, S., Clausing, S..T., Anjass, M., Luo, Y., Kupfer, S., Dietzek, B. and Streb, C.: Covalent Linkage of BODIPY-Photosensitizers to Anderson-type Polyoxometalates using CLICK ChemistryExternal link. Chem. Eur. J.. Accepted Author Manuscript, (2021), 10.1002/chem.202102897 External link
- Barbara Bankiewicz, Stephan Kupfer, Piotr Matczak: Tuning the metal-ligand bond in the σ-complexes of stannylenes and azabenzenesExternal link, J. Comp. Chem., (2021), 10.1002/jcc.26741External link
- Raul D. Rodriguez, Carlos J. Villagómez, Amirhassan Khodadadi, Stephan Kupfer, Andrey Averkiev, Lina Dedelaite, Feng Tang, Mohammad Y. Khaywah, Vladimir Kolchuzhin, Arunas Ramanavicius, Pierre-Michel Adam, Stefanie Gräfe, and Evgeniya Sheremet: Chemical Enhancement vs Molecule-Substrate Geometry in Plasmon-Enhanced SpectroscopyExternal link, ACS Photonics, 8(8), 2243, (2021), 10.1021/acsphotonics.1c00001External link
- Fabian Seifert, Denis Drikermann, Johannes Steinmetzer, You Zi, Stephan Kupfer, and Ivan Vilotijevic: Z-Selective Phosphine Promoted 1,4-Reduction of Ynoates and Propynoic Amides in the Presence of WaterExternal link, Org. Biomol. Chem., (2021), 10.1039/D1OB00909EExternal link
- Joshua J. Sutton, Dan Preston, Philipp Traber, Johannes Steinmetzer, Xue Wu, Surajit Kayal, Xue-Z. Sun, James D. Crowley, Michael W. George, Stephan Kupfer, and Keith C. Gordon: Excited-State Switching in Rhenium(I) Bipyridyl Complexes with Donor-Donor and Donor-Acceptor SubstituentsExternal link, J. Am. Chem. Soc. (2021),10.1021/jacs.1c02755External link
- Shruthi S. Nair, Oliver A. Bysewski, Stephan Kupfer, Maria Wächtler, Andreas Winter, Ulrich S. Schubert, and Benjamin Dietzek: Excitation Energy-Dependent Branching Dynamics Determines Photostability of Iron(II)-Mesoionic Carbene ComplexesExternal link, Inorg. Chem., (2021), 10.1021/acs.inorgchem.1c01166External link
- K. Fiederling, S. Kupfer, and S. Gräfe: Are charged tips driving TERS-resolution? A full quantum chemical approachExternal link, J. Chem. Phys. 154, 034106 (2021), 10.1063/5.0031763External link
- Robert Geitner, Andrei Gurinov, Tianbai Huang, Stephan Kupfer, Stefanie Gräfe, Bert M. Weckhuysen: Reaction Mechanism of Pd-Catalyzed "CO-Free" Carbonylation Reaction Uncovered by In Situ Spectroscopy: The Formyl MechanismExternal link, Ang. Chem., (2020), 10.1002/anie.202011152External link
- Robert Geitner, Tianbai Huang, Stephan Kupfer, Stefanie Gräfe, Florian Meirer und Bert M. Weckhuysen: New insights into the biphasic "CO-free" Pauson-Khand cyclisation reaction through combined in situ spectroscopy and multiple linear regression modellingExternal link, Catal. Sci. Technol., (2021), 10.1039/D0CY02267EExternal link
- Johannes Steinmetzer, Stephan Kupfer und Stefanie Gräfe: pysisyphus: Exploring potential energy surfaces in ground and excited statesExternal link, Int J. Quantum Chem., (2020), 10.1002/qua.26390External link
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2020
- T. Ümit, Ph. Seeber, S. Kupfer, and D. Ziegenbalg, Photochlorination of Toluene - The Thin Line Between Intensification and Selectivity. Part 2: SelectivityExternal link, React. Chem. Eng., 2020, DOI: 10.1039/D0RE00366BExternal link.
- A. Sen, S. Kupfer, S. Gräfe and A. Groß, The Role of Anchoring Groups in Ruthenium(II)-bipyridine Sensitized p-Type Semiconductor Solar Cells - A Quantum Chemical ApproachExternal link, J Phys B: At Mol Opt Phys, 2020, 53, 234001, DOI: 10.1088/1361-6455/abb2d9External link
- C. Müller, M. Schulz, M. Obst, L. Zedler, S. Gräfe, S. Kupfer and B. Dietzek, Role of MLCT States in the Franck-Condon Region of Neutral, Heteroleptic Cu(I)-4H-imidazolate Complexes: A Spectroscopic and Theoretical Study, J Phys Chem A, 2020, 124, 6607−6616.
- P. Buday, P. Seeber, C. Neumann, H. Abul-Futouh, H. Görls, S. Gräfe, P. Matczak, S. Kupfer, W. Weigand, and G. Mloston, Iron(0) Mediated Stereoselective (3+2)-Cycloaddition of Thiochalcones via a Diradical Intermediate, Chem - Eur J, 2020, 26, 11412-11416.
- K. Fiederling, M. Abasifard, M. Richter, V. Deckert, S. Gräfe and S. Kupfer, The Chemical Effect Goes Resonant - A Full Quantum Mechanical Approach on TERS, Nanoscale, 2020, 12, 6346-6359.
- G. E. Shillito, D. Preston, P. Traber, J. Steinmetzer, C. J. McAdam, J. D. Crowley, P. Wagner, S. Kupfer and K. C. Gordon, Excited-State Switching Frustrates the Tuning of Properties in Triphenylamine-Donor-Ligand Rhenium(I) and Platinum(II) Complexes, Inorg Chem, 2020, 10, 6736-6746.
- A. K. Mengele, C. Müller, D. Nauroozi, S. Kupfer, B. Dietzek and S. Rau, Molecular Scylla and Charybdis: Maneuvering between pH Sensitivity and Excited-State Localization in Ruthenium Bi(benz)imidazole Complexes, Inorg Chem, 2020, DOI: 10.1021/acs.inorgchem.0c01022
- N. Meitinger, A. K. Mengele, K. Witas, S. Kupfer, S. Rau and D. Nauroozi, Tetraaryl Cyclopentadienones: Experimental and Theoretical Insights into Negative Solvatochromism and Electrochemistry, Eur J Org Chem, 2020, DOI: 10.1002/ejoc.202001091
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2019
- V. Ramu, G. Upendar Reddy, J. Liu, P. Hoffmann, R. Sollapur, R. Wyrwa, S. Kupfer, C. Spielmann, S. Bonnet, U. Neugebauer and A. Schiller, Two-Photon-Induced CO-Releasing Molecules as Molecular Logic Systems in Solution, Polymers, and Cells, Chem - Eur J, 2019, 25, 8453-8458
- V. G. Hänsch, T. Neuwirth, J. Steinmetzer, F. Kloss, R. Beckert, S. Gräfe, S. Kupfer and C. Hertweck, Metal-Free Aryl Cross-Coupling Directed by Traceless Linkers, Chem - Eur J, 2019, 25, 16068-16073
- L. Zedler, S. Krieck, S. Kupfer and B. Dietzek, Resonance Raman Spectro-Electrochemistry to Illuminate Photo-Induced Molecular Reaction Pathways, Molecules, DOI:10.3390/molecules24020245
- M. Martynow, S. Kupfer, S. Rau and J. Guthmuller, Excited state properties of a series of molecular photocatalysts investigated by time dependent density functional theory, Phys Chem Chem Phys, 2019, 21, 9052-9060.
- V. Dugandžić, S. Kupfer, M. Jahn, T. Henkel, K. Weber, D. Cialla-May and J. Popp, A SERS-based molecular sensor for selective detection and quantification of copper(II) ions, Sens Actuators B Chem, 2019, 279, 230-237.
- M. Staniszewska, S. Kupfer and J. Guthmuller, Effect of the Catalytic Center on the Electron Transfer Dynamics in Hydrogen-Evolving Ruthenium-Based Photocatalysts Investigated by Theoretical Calculations, J Phys Chem C, 2019, 123, 16003-16013.
- L. Zedler, A. K. Mengele, K. M. Ziems, Y. Zhang, M. Wächtler, S. Gräfe, T. Pascher, S. Rau, S. Kupfer and B. Dietzek, Unraveling the Light-Activated Reaction Mechanism in a Catalytically Competent Key Intermediate of a Multifunctional Molecular Catalyst for Artificial Photosynthesis, Angew Chem Int Ed, 2019, 58, 13140-13148.
- J. Liu, P. Hoffmann, J. Steinmetzer, S. H. C. Askes, S. Kupfer, H. Görls, S. Gräfe, U. Neugebauer, U. R. Gandra and A. Schiller, Visible light-activated biocompatible photo-CORM for CO-release with colorimetric and fluorometric dual turn-on response, Polyhedron, 2019, 172, 175-181.
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2018
- K. M. Ziems, S. Gräfe and S. Kupfer, Photo-Induced Charge Separation vs. Degradation of a BODIPY-Based Photosensitizer Assessed by TDDFT and RASPT2, Catalysts, 2018, 8, 520
- M. Staniszewska, S. Kupfer and J. Guthmuller, Theoretical Investigation of the Electron-Transfer Dynamics and Photodegradation Pathways in a Hydrogen-Evolving Ruthenium-Palladium Photocatalyst, Chem - Eur J, 2018, 24, 11166-11176
- K. R. A. Schneider, P. Traber, C. Reichardt, H. Weiss, S. Kupfer, H. Görls, S. Gräfe, W. Weigand and B. Dietzek, Unusually Short-Lived Solvent-Dependent Excited State in a Half-Sandwich Ru(II) Complex Induced by Low-Lying 3MC States, J Phys Chem A, 2018, 122, 1550-1559
- J. Schindler, Y. Zhang, P. Traber, J.-F. Lefebvre, S. Kupfer, M. Demeunynck, S. Gräfe, M. Chavarot-Kerlidou and B. Dietzek, A ππ* State Enables Photoaccumulation of Charges on a π-Extended Dipyridophenazine Ligand in a Ru(II) Polypyridine Complex, J Phys Chem C, 2018, 122, 83-95
- J.-F. Lefebvre, J. Schindler, P. Traber, Y. Zhang, S. Kupfer, S. Gräfe, I. Baussanne, M. Demeunynck, J.-M. Mouesca, S. Gambarelli, V. Artero, B. Dietzek and M. Chavarot-Kerlidou, An artificial photosynthetic system for photoaccumulation of two electrons on a fused dipyridophenazine (dppz)-pyridoquinolinone ligand, Chem Sci, 2018, 9, 4152-4159
- S. H. Habenicht, S. Kupfer, J. Nowotny, S. Schramm, D. Weiß, R. Beckert and H. Görls, Highly fluorescent single crystals of a 4-ethoxy-1,3-thiazole, Dyes Pigm, 2018, 149, 644-651.
- S. Kupfer, D. Kinzel, M. Siegmann, J. Philipp, B. Dietzek and S. Gräfe, Fate of Photoexcited Molecular Antennae - Intermolecular Energy Transfer versus Photodegradation Assessed by Quantum Dynamics, J Phys Chem C, 2018, 122, 3273-3285.
- J. Schindler, S. Kupfer, A. A. Ryan, K. J. Flanagan, M. O. Senge and B. Dietzek, Sterically induced distortions of nickel(II) porphyrins - Comprehensive investigation by {DFT} calculations and resonance Raman spectroscopy, Coord Chem Rev, 2018, 360, 1-16.
- J. Schindler, P. Traber, L. Zedler, Y. Zhang, J.-F. Lefebvre, S. Kupfer, S. Gräfe, M. Demeunynck, M. Chavarot-Kerlidou and B. Dietzek, Photophysics of a Ruthenium Complex with a π-Extended Dipyridophenazine Ligand for DNA Quadruplex Labeling, J Phys Chem A, 2018, 122, 6558-6569.
- G. E. Shillito, T. B. J. Hall, D. Preston, P. Traber, L. Wu, K. E. A. Reynolds, R. Horvath, X. Z. Sun, N. T. Lucas, J. D. Crowley, M. W. George, S. Kupfer and K. C. Gordon, Dramatic Alteration of 3ILCT Lifetimes Using Ancillary Ligands in [Re(L)(CO)3(phen-TPA)]n+ Complexes: An Integrated Spectroscopic and Theoretical Study, J Am Chem Soc, 2018, 140, 4534-4542.
- Y. Zhang, P. Traber, L. Zedler, S. Kupfer, S. Gräfe, M. Schulz, W. Frey, M. Karnahl and B. Dietzek, Cu(i) vs. Ru(II) photosensitizers: elucidation of electron transfer processes within a series of structurally related complexes containing an extended π-system, Phys Chem Chem Phys, 2018, 20, 24843-24857.
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2017
- M. Staniszewska, S. Kupfer, M. Łabuda and J. Guthmuller, Theoretical Assessment of Excited State Gradients and Resonance Raman Intensities for the Azobenzene Molecule, J Chem Theo Comput, 2017, 13, 1263-1274
- G. U. Reddy, J. Liu, P. Hoffmann, J. Steinmetzer, H. Görls, S. Kupfer, S. H. C. Askes, U. Neugebauer, S. Gräfe and A. Schiller, Light-responsive paper strips as CO-releasing material with a colourimetric response, Chem Sci, 2017, 8, 6555-6560
- L. Dura, M. Wächtler, S. Kupfer, J. Kübel, J. Ahrens, S. Höfler, M. Bröring, B. Dietzek and T. Beweries, Photophysics of BODIPY Dyes as Readily-Designable Photosensitisers in Light-Driven Proton Reduction, Inorganics, DOI:10.3390/inorganics5020021.
- H. Abul-Futouh, Y. Zagranyarski, C. Müller, M. Schulz, S. Kupfer, H. Görls, M. El-Khateeb, S. Gräfe, B. Dietzek, K. Peneva and W. Weigand, [FeFe]-Hydrogenase H-cluster mimics mediated by naphthalene monoimide derivatives of peri-substituted dichalcogenides, Dalton Trans, 2017, 46, 11180-11191.
- A. Koch, D. Kinzel, F. Dröge, S. Gräfe and S. Kupfer, Photochemistry and Electron Transfer Kinetics in a Photocatalyst Model Assessed by Marcus Theory and Quantum Dynamics, J Phys Chem C, 2017, 121, 16066-16078.
- J. Schindler, Y. Zhang, P. Traber, J.-F. Lefebvre, S. Kupfer, M. Demeunynck, S. Gräfe, M. Chavarot-Kerlidou and B. Dietzek, A ππ* State Enables Photoaccumulation of Charges on a π-Extended Dipyridophenazine Ligand in a Ru(II) Polypyridine Complex, J Phys Chem C, 2017, 122, 83-95.
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2016
- L. Zedler, S. Kupfer, S. Krieck, R. Beckert, S. Rau, M. Schmitt, J. Popp and B. Dietzek, Mechanism of Intramolecular Multi-Electron Photochemistry in a 4H-Imidazole Ruthenium Dye, Asian J Phys, 2016, 25, 137-156
- C. Reichardt, T. Sainuddin, M. Wächtler, S. Monro, S. Kupfer, J. Guthmuller, S. Gräfe, S. McFarland and B. Dietzek, Influence of Protonation State on the Excited State Dynamics of a Photobiologically Active Ru(II) Dyad, J Phys Chem A, 2016, 120, 6379-6388
- F. Latorre, S. Kupfer, T. Bocklitz, D. Kinzel, S. Trautmann, S. Gräfe and V. Deckert, Spatial resolution of tip-enhanced Raman spectroscopy - DFT assessment of the chemical effect, Nanoscale, 2016, 8, 10229-10239
- S. Kupfer, Extended charge accumulation in ruthenium-4H-imidazole-based black absorbers: a theoretical design concept, Phys Chem Chem Phys, 2016, 18, 13357-13367.
- S. Kupfer, V. Deckert and S. Gräfe, Isotopic Effects in (Surface Enhanced) Raman Spectroscopy - Single Molecule Aspects, Asian J Phys, 2016, 25, 167-177.
- J.-F. Lefebvre, D. Saadallah, P. Traber, S. Kupfer, S. Gräfe, B. Dietzek, I. Baussanne, J. De Winter, P. Gerbaux, C. Moucheron, M. Chavarot-Kerlidou and M. Demeunynck, Synthesis of three series of ruthenium tris-diimine complexes containing acridine-based [small pi]-extended ligands using an efficient 'chemistry on the complex' approach, Dalton Trans, 2016, 45, 16298-16308.
- J. Schindler, S. Kupfer, L. Zedler, M. Wächtler, S. Gräfe, A. A. Ryan, M. O. Senge and B. Dietzek, Spectroelectrochemical Investigation of the One-Electron Reduction of Nonplanar Nickel(II) Porphyrins, ChemPhysChem, 2016, 17, 3480-3493.
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2015
- Y. Zhang, S. Kupfer, L. Zedler, J. Schindler, T. Bocklitz, J. Guthmuller, S. Rau and B. Dietzek, In situ spectroelectrochemical and theoretical study on the oxidation of a 4H-imidazole-ruthenium dye adsorbed on nanocrystalline TiO2 thin film electrodes, Phys Chem Chem Phys, 2015, 17, 29637-29646
- J. Schindler, S. Kupfer, M. Wächtler, J. Guthmuller, S. Rau and B. Dietzek, Photophysics of a Ruthenium 4H-Imidazole Panchromatic Dye in Interaction with Titanium Dioxide, ChemPhysChem, 2015, 16, 1061-1070
- C. Reichardt, M. Pinto, M. Wächtler, M. Stephenson, S. Kupfer, T. Sainuddin, J. Guthmuller, S. A. McFarland and B. Dietzek, Photophysics of Ru(II) Dyads Derived from Pyrenyl-Substitued Imidazo[4,5-f][1,10]phenanthroline Ligands, J Phys Chem A, 2015, 119, 3986-3994
- J. Greiser, T. Hagemann, T. Niksch, P. Traber, S. Kupfer, S. Gräfe, H. Görls, W. Weigand and M. Freesmeyer, Synthesis and Characterization of GaIII, InIIIand LuIIIComplexes of a Set of dtpa Bis-Amide Ligands, Eur J Inorg Chem, 2015, 2015, 4125-4137.
- T. Becker, S. Kupfer, M. Wolfram, H. Görls, U. S. Schubert, E. V. Anslyn, B. Dietzek, S. Gräfe and A. Schiller, Sensitization of NO-Releasing Ruthenium Complexes to Visible Light, Chem - Eur J, 2015, 21, 15554-15563.
- S. H. Habenicht, M. Siegmann, S. Kupfer, J. Kübel, D. Weiß, D. Cherek, Uwe Möller, B. Dietzek, S. Gräfe and R. Beckert, And yet they glow: thiazole based push-pull fluorophores containing nitro groups and the influence of regioisomerism, Methods Appl Fluoresc, 2015, 3, 025005.
- B. Sandmann, B. Happ, S. Kupfer, F. H. Schacher, M. D. Hager and U. S. Schubert, The Self-Healing Potential of Triazole-Pyridine-Based Metallopolymers, Macromol Rapid Commun, 2015, 36, 604-609.
- M. Wächtler, J. Guthmuller, S. Kupfer, M. Maiuri, D. Brida, J. Popp, S. Rau, G. Cerullo and B. Dietzek, Ultrafast Intramolecular Relaxation and Wave-Packet Motion in a Ruthenium-Based Supramolecular Photocatalyst, Chem - Eur J, 2015, 21, 7668-7674.
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2014
- L. Zedler, S. Kupfer, I. R. de Moraes, M. Wächtler, R. Beckert, M. Schmitt, J. Popp, S. Rau and B. Dietzek, Trapped in Imidazole: How to Accumulate Multiple Photoelectrons on a Black-Absorbing Ruthenium Complex, Chem - Eur J, 2014, 20, 3793-3799
- M. G. Pfeffer, L. Zedler, S. Kupfer, M. Paul, M. Schwalbe, K. Peuntinger, D. M. Guldi, J. Guthmuller, J. Popp, S. Gräfe, B. Dietzek and S. Rau, Tuning of photocatalytic activity by creating a tridentate coordination sphere for palladium, Dalton Trans, 2014, 43, 11676-11686.
- S. Kupfer, L. Zedler, J. Guthmuller, S. Bode, M. D. Hager, U. S. Schubert, J. Popp, S. Gräfe and B. Dietzek, Self-healing mechanism of metallopolymers investigated by QM/MM simulations and Raman spectroscopy, Phys Chem Chem Phys, 2014, 16, 12422-12432.
- L. Zedler, J. Guthmuller, I. Rabelo de Moraes, S. Kupfer, S. Krieck, M. Schmitt, J. Popp, S. Rau and B. Dietzek, Resonance-Raman spectro-electrochemistry of intermediates in molecular artificial photosynthesis of bimetallic complexes, Chem Commun, 2014, 50, 5227-5229.
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before 2014
- R. Menzel, S. Kupfer, R. Mede, H. Görls, L. González and R. Beckert, Synthesis, properties and quantum chemical evaluation of solvatochromic pyridinium-phenyl-1,3-thiazol-4-olate betaine dyes, Tetrahedron, 2013, 69, 1489-1498
- M. Wächtler, S. Kupfer, J. Guthmuller, S. Rau, L. González and B. Dietzek, Structural Control of Photoinduced Dynamics in 4H-Imidazole-Ruthenium Dyes, J Phys Chem C, 2012, 116, 25664-25676
- R. Menzel, D. Ogermann, S. Kupfer, D. Weiß, H. Görls, K. Kleinermanns, L. González and R. Beckert, 4-Methoxy-1,3-thiazole based donor-acceptor dyes: Characterization, X-ray structure, DFT calculations and test as sensitizers for DSSC, Dyes Pigm, 2012, 94, 512-524
- S. Kupfer, M. Wächtler, J. Guthmuller, J. Popp, B. Dietzek and L. González, A Novel Ru(II) Polypyridine Black Dye Investigated by Resonance Raman Spectroscopy and TDDFT Calculations, J Phys Chem C, 2012, 116, 19968-19977
- S. Kupfer, J. Guthmuller, M. Wächtler, S. Losse, S. Rau, B. Dietzek, J. Popp and L. Gonzalez, Protonation effects on the resonance Raman properties of a novel (terpyridine)Ru(4H-imidazole) complex: an experimental and theoretical case study, Phys Chem Chem Phys, 2011, 13, 15580-15588.
- M. Wächtler, S. Kupfer, J. Guthmuller, J. Popp, L. Gonzalez and B. Dietzek, Influence of Multiple Protonation on the Initial Excitation in a Black Dye, J Phys Chem C, 2011, 115, 24004-24012.
- S. Kupfer, G. Pérez-Hernández and L. González, Singlet oxygen generation versus O-O homolysis in phenyl-substituted anthracene endoperoxides investigated by RASPT2, CASPT2, CC2, and TD-DFT methods, Theor Chem Acc, 2012, 131, 1295.
- R. Menzel, S. Kupfer, R. Mede, D. Weiß, H. Görls, L. González and R. Beckert, Arylamine-Modified Thiazoles as Donor-Acceptor Dyes: Quantum Chemical Evaluation of the Charge-Transfer Process and Testing as Ligands in Ruthenium(II) Complexes, Eur J Org Chem, 2012, 2012, 5231-5247.
- S. Kupfer, J. Guthmuller and L. González, An Assessment of RASSCF and TDDFT Energies and Gradients on an Organic Donor-Acceptor Dye Assisted by Resonance Raman Spectroscopy, J Chem Theory Comput, 2013, 9, 543-554.
