Dr. Stephan Kupfer

Image: 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 Kupfer

Furthermore, 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

List of publications in peer-reviewed journals

2022

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. ChemCatChem. Accepted Author Manuscript. (2022), doi: 10.1002/cctc.202200854
Piotr Matczak, Stephan Kupfer, Grzegorz Mlostoń, Philipp Buday, Helmar Görls, and Wolfgang Weigand: Metal–ligand bonding in tricarbonyliron(0) complexes bearing thiochalcone ligands. New J. Chem., (2022), Advance Article, doi: 10.1039/D2NJ01315K
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 photosynthesis. Chem. Eur. J., accepted. doi: 10.1002/chem.202200766
Patrick Herr, Alexander Schwab, Stephan Kupfer, Oliver S. Wenger: Deep-Red Luminescent Molybdenum(0) Complexes with Bi- and Tridentate Isocyanide Chelate Ligands. ChemPhotoChem (2022), doi:10.1002/cptc.202200052
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 Fe₃(CO)₁₂. Materials, 15(8), 2867, (2022) DOI:10.3390/ma15082867
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 CO₂ Photoreduction. JACS Au, (2022), doi:10.1021/jacsau.2c00073
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 Equivalents. Chem. Eur. J., (2022), e202103882, DOI: 10.1002/chem.202103882
Stephan Kupfer, Maria Wächtler, Julien Guthmuller: Light-Driven Multi-Charge Separation in a Push-Pull Ruthenium-based Photosensitizer – Assessed by RASSCF and TDDFT Simulations. ChemPhotoChem. Accepted Author Manuscript. (2022) https://doi.org/10.1002/cptc.202200010
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. Angew. Chem. Int. Ed.. Accepted Author Manuscript. (2022) https://doi.org/10.1002/anie.202202079
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 production. Nat. Chem. (2022), doi: 10.1038/s41557-021-00860-6
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 Yield, Angew. Chem. Int. Ed.. Accepted Author Manuscript. doi: 10.1002/anie.202117499
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 dyes. Dyes and Pigments, 198, 109940, (2022), doi:10.1016/j.dyepig.2021.109940
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 Mimics. Eur. J. Inorg. Chem., (2022), doi:10.1002/ejic.202100959

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. Chem. Eur. J., 27, 17049, (2021), doi: 10.1002/chem.202102377
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 Characterization. ACS Appl. Mater. Interfaces, 13(42), 49802–49815, (2021), doi:10.1021/acsami.1c12138
Miftahussurur Hamidi Putra, Sebastian Seidenath, Stephan Kupfer, Stefanie Gräfe, Axel Groß: Coupling of photoactive transition metal complexes to a functional polymer matrix, Chem. Eur. J., 27, 17104, (2021), doi:10.1002/chem.202102776
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 Chemistry. Chem. Eur. J.. Accepted Author Manuscript, (2021), 10.1002/chem.202102897
Barbara Bankiewicz, Stephan Kupfer, Piotr Matczak: Tuning the metal–ligand bond in the σ-complexes of stannylenes and azabenzenes, J. Comp. Chem., (2021), 10.1002/jcc.26741
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 Spectroscopy, ACS Photonics, 8(8), 2243, (2021), 10.1021/acsphotonics.1c00001
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 Water, Org. Biomol. Chem., (2021), 10.1039/D1OB00909E
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 Substituents, J. Am. Chem. Soc. (2021),10.1021/jacs.1c02755
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 Complexes, Inorg. Chem., (2021), 10.1021/acs.inorgchem.1c01166
K. Fiederling, S. Kupfer, and S. Gräfe: Are charged tips driving TERS-resolution? A full quantum chemical approach, J. Chem. Phys. 154, 034106 (2021), 10.1063/5.0031763
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 Mechanism, Ang. Chem., (2020), 10.1002/anie.202011152
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 modelling, Catal. Sci. Technol., (2021), 10.1039/D0CY02267E
Johannes Steinmetzer, Stephan Kupfer und Stefanie Gräfe: pysisyphus: Exploring potential energy surfaces in ground and excited states, Int J. Quantum Chem., (2020), 10.1002/qua.26390

2020

T. Ümit, Ph. Seeber, S. Kupfer, and D. Ziegenbalg, Photochlorination of Toluene - The Thin Line Between Intensification and Selectivity. Part 2: Selectivity, React. Chem. Eng., 2020, DOI: 10.1039/D0RE00366B.
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 Approach, J Phys B: At Mol Opt Phys, 2020, 53, 234001, DOI: 10.1088/1361-6455/abb2d9
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

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.

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.

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.

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.

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.

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.

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.