Dr. Stephan Kupfer

Dr. Stephan Kupfer

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.

Photoinduzierter Elektronentransfer 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

Contributions as (co-)corresponding author are underlined.
In total 61 refereed publications, 821 citations, h-index 17 (google scholar).

2020 Show content
  • 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, DOI: 10.1088/1361-6455/abb2d9
  • J. Steinmetzer, S. Kupfer, and S. Gräfe, pysisyphus: Exploring potential energy surfaces in ground and excited states, Int J Quantum Chem, 2020, DOI: 10.1002/qua.26390
  • 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 Show content
  • 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 Show content
  • 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 Show content
  • 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 Show content
  • 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 Show content
  • 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 Show content
  • 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 Show content
  • 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.

Contact

Stephan Kupfer, Dr
PostDoc
Dr. Stephan Kupfer
Phone
+49 3641 9-48334
Fax
+49 3641 9-48302
Room K009
Helmholtzweg 4
07743 Jena
Share this page
The Friedrich Schiller University on social media:
Studying amid excellence:
  • Logo of the "Total E-Quality" initiative
  • Logo of the best practice club "Family in Higher Education Institutions"
  • Logo of the "Partner University of High Performance Sports" project
  • Logo of quality of German Accreditation Council - system accredited
Top of the page