Graduiertenkolleg 2112


    :::::::::::::::::::::::::::::::::::::::::::::::::::::::::::   2021   :::::::::::::::::::::::::::::::::::::::::::::::::::::::::::

    L. Ress, D. Kaiser, J. Grüne, M. Gerlach, E. Reusch, T. Brixner, A. Sperlich, B. Engels, I. Fischer
    Femtosecond dynamics of diphenylpropynylidene in ethanol and dichloromethane
    Spectrochim. Acta Part A 2021, 254, 119606
    DOI: 10.1016/j.saa.2021.119606

    J. Heitmüller, K. Eckstein, R. Renner, M. Stolte, T. Hertel, F. Würthner, T. Brixner
    Coherent two-dimensional electronic spectroelectrochemistry
    Spectrochim. Acta Part A 2021, 253, 119567
    DOI: 10.1016/j.saa.2021.119567

    S. M. Berger, M. Ferger, T. B. Marder
    Synthetic Approaches to Triarylboranes from 1885 to 2020
    Chem. Eur. J.
    DOI: 10.1002/chem.202005302  

    R. Rausch, A.-M. Krause, I. Krummenacher, H. Braunschweig, F. Würthner
    Nitronyl Nitroxide Bifunctionalized Electron-Poor Chromophores: Synthesis of Stable Dye Biradicals by Lewis Acid Promoted Desilylation
    J. Org. Chem. 2021, 86, 3, 2447–2457
    DOI: 10.1021/acs.joc.0c02613 

    G. K. Kole, J. Merz, A. Amar, B. Fontaine, A. Boucekkine, J. Nitsch, S. Lorenzen, A. Friedrich, I. Krummenacher, M. Košćak, H. Braunschweig, I. Piantanida, J.‐F. Halet, K. Müller‐Buschbaum, T. B. Marder
    2‐ and 2,7‐Substituted para‐N‐Methylpyridinium Pyrenes: Syntheses, Molecular and Electronic Structures, Photophysical, Electrochemical, and Spectroelectrochemical Properties and Binding to Double‐Stranded (ds) DNA
    Chem. Eur. J. 2021, 27, 2837-2853
    DOI: 10.1002/chem.202004748

    N. Bunzmann, B. Krugmann, S. Weissenseel, Liudmila Kudriashova, K. Ivaniuk, P. Stakhira, V. Cherpak, M. Chapran, G. Grybauskaite‐Kaminskiene, J. V. Grazulevicius, V. Dyakonov, A. Sperlich
    Spin‐ and Voltage‐Dependent Emission from Intra‐ and Intermolecular TADF OLEDs
    Adv. Electron. Mater. 2021, 7, 2000702
    DOI: 10.1002/aelm.202000702 

    R. Rausch, M. I. S. Röhr, D. Schmidt, I. Krummenacher, H. Braunschweig, F. Würthner
    Tuning phenoxyl-substituted diketopyrrolopyrroles from quinoidal to biradical ground states through (hetero-)aromatic linkers
    Chem. Sci. 2021, 12, 793-802
    DOI: 10.1039/d0sc05475e

    J. He, F. Rauch, A. Friedrich, J. Krebs, I. Krummenacher, R. Bertermann, J. Nitsch, H. Braunschweig, M. Finze, T.B. Marder
    Phenylpyridyl‐Fused Boroles: A Unique Coordination Mode and Weak B−N Coordination‐Induced Dual Fluorescence
    Angew. Chem. Int. Ed. 2021, 60, 4833-4840
    DOI: 10.1002/anie.202013692

    J. He, F. Rauch, M. Finze, T.B. Marder
    (Hetero)arene-fused boroles: a broad spectrum of applications
    Chem. Sci. 2021, 12, 128-147
    DOI: 10.1039/d0sc05676f 

    :::::::::::::::::::::::::::::::::::::::::::::::::::::::::::   2020   :::::::::::::::::::::::::::::::::::::::::::::::::::::::::::

    J. He, F. Rauch, I. Krummenacher, H. Braunschweig, M. Finze, T. B. Marder
    Two derivatives of phenylpyridyl-fused boroles with contrasting electronic properties: decreasing and enhancing the electron accepting ability
    Dalton Trans. 2021, 50, 355-361
    DOI: 10.1039/d0dt03619f

    S. Hammer, C. Zeiser, M. Deutsch, B. Engels, K. Broch, J. Pflaum
    Spatial Anisotropy of Charge Transfer at Perfluoropentacene–Pentacene (001) Single-Crystal Interfaces and its Relevance for Thin Film Devices
    ACS Appl. Mater. Interfaces 2020, 12, 47, 53547–53556
    DOI: 10.1021/acsami.0c17152 

    J. Maier, M. Deutsch, J. Merz, Q. Ye, O. Diamond, M.‐T. Schilling, A. Friedrich, B. Engels, T.B. Marder
    Highly Conjugated π‐Systems Arising from Cannibalistic Hexadehydro‐Diels–Alder Couplings: Cleavage of C−C Single and Triple Bonds
    Chem. Eur. J. 2020, 26, 15989-16000
    DOI: 10.1002/chem.202002511

    J. Süß, V. Engel
    Exciton–exciton annihilation in a molecular trimer: Wave packet dynamics and 2D spectroscopy
    J. Chem. Phys. 2020, 153, 164310
    DOI: 10.1063/5.0027837

    Y. Tian, X. Guo, I. Krummenacher, Z. Wu, J. Nitsch, H. Braunschweig, U. Radius, and T. B. Marder
    Visible-Light-Induced Ni-Catalyzed Radical Borylation of Chloroarenes
    J. Am. Chem. Soc. 2020, 142, 42, 18231–18242
    DOI: 10.1021/jacs.0c08834 

    X. Tang, X. Lin, G. A. Garcia, J. Loison, C. Fittschen, A. Röder, D. Schleier, X. Gu, W. Zhang, L. Nahon
    Threshold photoelectron spectroscopy of the HO2 radical
    J. Chem. Phys. 2020, 153, 124306
    DOI: 10.1063/5.0022410 

    J. M. Rotter, R. Guntermann, M. Auth, A. Mähringer, A. Sperlich, V. Dyakonov, D. D. Medina, T. Bein
    Highly conducting Wurster-type twisted covalent organic frameworks
    Chem. Sci. 2020, 11, 12843-12853
    DOI: 10.1039/d0sc03909h

    J. Grüne, N. Bunzmann, M. Meinecke, V. Dyakonov, A. Sperlich
    Kinetic Modeling of Transient Electroluminescence Reveals TTA as an Efficiency-Limiting Process in Exciplex-Based TADF OLEDs
    J. Phys. Chem. C 2020, 124, 25667–25674
    DOI: 10.1021/acs.jpcc.0c06528

    X. Ma, J. Maier, M. Wenzel, A. Friedrich, A. Steffen, T. B. Marder, R. Mitric, T. Brixner
    Direct observation of o-benzyne formation in photochemical hexadehydro-Diels–Alder (hv-HDDA) reactions
    Chem. Sci., 2020, 11, 9198-9208
    DOI: 10.1039/d0sc03184d

    U. Müller, L. Roos, M. Frank, M. Deutsch, S. Hammer, M. Krumrein, A. Friedrich, T. B. Marder, B. Engels, A. Krueger, J. Pflaum
    Role of Intermolecular Interactions in the Excited-State Photophysics of Tetracene and 2,2′-Ditetracene
    J. Phys. Chem. C 2020, 124, 19435–19446
    DOI: 10.1021/acs.jpcc.0c04066

    N. Bunzmann, S. Weissenseel, L. Kudriashova, J. Gruene, B. Krugmann, J. Vidas Grazulevicius, A.Sperlich, V. Dyakonov
    Optically and electrically excited intermediate electronic states in donor:acceptor based OLEDs
    Mater. Horiz., 2020, 7, 1126-1137
    DOI: 10.1039/c9mh01475f

    A. Opitz, C. Peter, B. Wegner, H.S.S. R. Matte, A. Röttger, T. Florian, X. Xu, P. Beyer, L. Grubert, S. Hecht, V. Belova, A. Hinderhofer, F. Schreiber, C. Kasper, J. Pflaum, Y. Zhang, S. Barlow, S. R. Marder, N. Koch
    Ordered Donor-Acceptor Complex Formation and Electron Transfer in Co-deposited Films of Structurally Dissimilar Molecules
    J. Phys. Chem. C 2020, 124, 11023–11031
    DOI: 10.1021/acs.jpcc.0c02465

    F. Hirsch, K. Pachner, I. Fischer, K. Issler, J. Petersen, R. Mitric, S. Bakels, A. M. Rijs
    Do Xylylenes Isomerize in Pyrolysis?
    ChemPhysChem 2020, 21, 1515-1518
    DOI: 10.1002/cphc.202000317

    Z. Wu, J. Nitsch, J. Schuster, A. Friedrich, K. Edkins, M. Loebnitz, F. Dinkelbach, V. Stepanenko, F. Würthner, C. M. Marian, L. Ji, T. B. Marder
    Persistent Room Temperature Phosphorescence from Triarylboranes: A Combined Experimental and Theoretical Study
    Angew. Chem. Int. Ed. 2020, 59, 17137-17144
    DOI: 10.1002/anie.202007610

    D. P. Mukhopadhyay, D. Schleier, S. Wirsing, J. Ramler, D. Kaiser, E. Reusch, P. Hemberger, T. Preitschopf, I. Krummenacher, B. Engels, I. Fischer, C. Lichtenberg
    Methylbismuth: an organometallic bismuthinidene biradical
    Chem. Sci. 2020, 11, 7562-7568
    DOI: 10.1039/d0sc02410d

    H. Belaidi, F. Rauch, Z. Zhang, C. Latouche, A. Boucekkine, T. B. Marder, J.‐F. Halet
    Insights into the Optical Properties of Triarylboranes with Strongly Electron-Accepting Bis(fluoromesityl)boryl Groups: when Theory Meets Experiment
    ChemPhotochem 2020, 4, 173
    DOI: 10.1002/cptc.201900256

    :::::::::::::::::::::::::::::::::::::::::::::::::::::::::::   2019   :::::::::::::::::::::::::::::::::::::::::::::::::::::::::::

    S. Hammer, T. Ferschke, G. v. Eyb, J. Pflaum
    Phase transition induced spectral tuning of dual luminescent crystalline zinc-phthalocyanine thin films and OLEDs
    Appl. Phys. Lett. 2019, 115, 263303
    DOI: 10.1063/1.5132698

    K. H. Eckstein, F. Oberndorfer M. M. Achsnich, F. Schöppler, T. Hertel
    Quantifying Doping Levels in Carbon Nanotubes by Optical Spectroscopy
    J. Phys. Chem. C 2019, 123, 30001
    DOI: 10.1021/acs.jpcc.9b08663

    J. O. Lindner, M. I. S. Röhr
    Metadynamics for automatic sampling of quantum property manifolds: exploration of molecular biradicality landscapes
    Phys. Chem. Chem. Phys. 2019, 21, 24716
    DOI: 10.1039/c9cp05182a

    J. Merz, M. Dietz, Y. Vonhausen, F. Wöber, A. Friedrich, D. Sieh, I. Krummenacher, H. Braunschweig, M. Moos, M. Holzapfel, C. Lambert, T. B. Marder
    Synthesis, Photophysical and Electronic Properties of New Red-to-NIR Emitting Donor-Acceptor Pyrene Derivatives
    Chem. Eur. J. 2019, 26, 438
    DOI: 10.1002/chem.201904219

    Y. Hattori, E. Michail, A. Schmiedel, M. Moos, M. Holzapfel, I. Krummenacher, H. Braunschweig, U. Müller, J. Pflaum, C. Lambert
    Luminescent Mono-, Di-, and Triradicals: Bridging Polychlorinated Triarylmethyl Radicals by Triarylamines and Triarylboranes
    Chem. Eur. J. 2019, 25, 15463
    DOI: 10.1002/chem.201903007

    S. Wirsing, M. Hänsel, V. Belova, F. Schreiber, K. Broch, B. Engels, P. Tegeder
    Excited-State Dynamics in Perylene-Based Organic Semiconductor Thin Films: Theory Meets Experiment
    J. Phys. Chem. C 2019, 123, 27561
    DOI: 10.1021/acs.jpcc.9b07511

    S. Riese, L. Mungenast, A. Schmiedel, M. Holzapfel, N. N. Lukzen, U. E. Steiner, C. Lambert
    Nanoviscosity effect on the spin chemistry of an electron donor/Pt-complex /electron acceptor triad - classical and quantum kinetics interpretation
    Mol. Phys. 2019, 117, 2632
    DOI: 10.1080/00268976.2018.1511867

    S. Hammer, T. Ferschke, GV. Eyb, J. Pflaum
    Phase transition induced spectral tuning of dual luminescent crystalline zinc-phthalocyanine thin films and OLEDs
    Appl. Phys. Lett. 2019, 115, 263303
    DOI: 10.1063/1.5132698

    D. Schleier, E. Reusch, L. Lummel, P. Hemberger, I. Fischer
    Threshold photoelectron spectroscopy of IO and HOI
    ChemPhysChem 2019, 20, 2413
    DOI: 10.1002/cphc.201900813

    A. Röder, J. Petersen, K. Issler, I. Fischer, R. Mitric, L. Poisson
    Exploring the Excited-State Dynamics of Hydrocarbon Radicals, Biradicals, and Carbenes Using Time-Resolved Photoelectron Spectroscopy and Field-Induced Surface Hopping Simulations
    J. Phys. Chem. A, 2019, 123, 10643
    DOI: 10.1021/acs.jpca.9b06346

    P. M. Burrezo, W. D. Zeng, M. Moos, M. Holzapfel, S. Canola, F. Negri, C. Rovira, J. Veciana, H. Phan, J. S. Wu, C. Lambert, J. Casado
    Perylene p-Bridges Equally Delocalize Anions and Cations: Proportioned Quinoidal and Aromatic Content
    Angew. Chem. Int. Ed. 2019, 58, 14467
    DOI: 10.1002/anie.201905657

    J. He, F. Rauch, A. Friedrich, S. Sieh, T. Ribbeck, I. Krummenachaer, H. Braunschweig, M. Finze, T. B. Marder
    N-Heterocyclic Olefins as Electron Donors in Combination with Triarylborane Acceptors: Synthesis, Optical and Electronic Properties of D-p-A Compounds
    Chem. Eur. J., 2019, 25, 13777
    DOI: 10.1002/chem.201903118

    S. Mueller, J. Lüttig, P. Malý, L. Ji, A. Dreuw, M. Moos, C. Lambert, U. Bunz, T. B. Marder, J. Han, T. Brixner
    Rapid Multiple-quantum Three-dimensional Fluorescence Spectroscopy Disentangles Quantum Pathways
    Nature Comm. 2019, 10, 4735
    DOI: 10.1038/s41467-019-12602-x

    X. Q. Jia, J. Nitsch, L. Ji, Z. Wu, A. Friedrich, F. Kerner, M. Moos, C. Lambert, T. B. Marder
    Triarylborane-Based Helical Donor-Acceptor Compounds: Synthesis, Photophysical, and Electronic Properties
    Chem. Eur. J. 2019, 46, 10845  
    DOI: 10.1002/chem.201902258

    L. Ji, S. Hahn, P. Biegger, H. Reiss, J. Han, A. Friedrich, I. Krummenacher, H. Braun-schweig, M. Moos, J. Freudenberg, C. Lambert, A. Dreuw, T.B. Marder, U.H.F. Bunz
    Mono- and Dianion of a Bis(benzobuta)tetraazapentacene Derivative
    Chem. Eur. J. 2019, 25, 9840 
    DOI: 10.1002/chem.201901982

    S. Griesbeck, M. Ferger, C. Czernetzi, C.G.  Wang, R. Bertermann, A. Friedrich, M. Haehnel, D. Sieh, M. Taki, S. Yamaguchi, T. B. Marder
    Optimization of Aqueous Stability versus pi-Conjugation in Tetracationic Bis(triarylborane) Chromophores: Applications in Live-Cell Fluorescence Imaging,
    Chem. Eur. J. 2019, 25, 7679  
    DOI: 10.1002/chem.201900723

    M. Flock, L. Bosse, D. Kaiser, B. Engels, I. Fischer
    A time-resolved photoelectron imaging study on isolated tolane: observation of the biradicalic 1Au state
    Phys. Chem. Chem. Phys. 2019, 21, 13157  
    DOI: 10.1039/c9cp02222h

    S. Griesbeck, E. Michail, F. Rauch, H. Ogasawara, C. Wang, Y. Sato, R. Edkins, Z. Zhang, M. Taki, C. Lambert, S. Yamaguchi, T. B. Marder
    The effect of branching one- and two-photon absorption, cell viability and localization of cationic triarylborane chromophores with dipolar vs. octopular charge distributions for cellular imaging
    Chem. Eur. J. 2019, 25, 13164
    DOI: 10.1002/chem.201902461

    M. Hailmann, B. Hupp, A. Himmelspach, F. Keppner, P. T. Hennig, R. Bertermann, A. Steffen, M. Finze
    Carba-closo-dodecaboranylethynyl ligands facilitating luminescent reversed charge-transfer excited states in gold/silver complexes
    Chem. Comm 2019, 5, 9351       
    DOI: 10.1039/c9cc05060d0

    A. Liske, L. Wallbaum, T. Holze, J. Foller, M. Gernert, B. Hupp, C. Ganter, C. M. Marian, A. Steffen
    Cu-F Interactions between Cationic Linear N-Heterocyclic Carbene Copper(I) Pyridine Complexes and Their Counterions Greatly Enhance Blue Luminescence Efficiency
    Inorg. Chem. 2019, 58, 5433   
    DOI: 10.1021/acs.inorgchem.9b00337

    Z. Gouid, A. Röder, B. K. Cunha de Miranda, M.-A. Gaveau, M. Briant, B. Soep, J.–M. Mestdagh, M. Hochlaf, L. Poisson
    Energetics and ionization dynamics of two diarylketone molecules: benzophenone and fluorenone
    Phys. Chem. Chem. Phys. 2019, 21, 14453
    DOI: 10.1039/c9cp02385b

    T. Sick, J. M. Rotter, S. Reuter, S. Kandambeth, N. N. Bach, M. Doblinger, J. Merz, T. Clark, T.B. Marder, T. Bein, D. D. Medina
    Switching on and off Interlayer Correlations and Porosity in 2D Covalent Organic Frameworks
    J. Am. Chem. Soc. 2019, 141, 12570  
    DOI: 10.1021/jacs.9b02800

    J. O. Lindner, K. Sultangaleeva, M. I. S. Röhr, R. Mitric
    metaFALCON: A Program Package for Automatic Sampling of Conical Intersection Seams Using Multistate Metadynamics
    J. Chem. Theory Comput. 2019, 15, 3450  
    DOI: 10.1021/acs.jctc.9b00029

    J. Merz, A. Steffen, J. Nitsch, J Fink, C. B. Schurger, A. Friedrich, I. Krummenacher, H. Braunschweig, M. Moos, D. Mims, C. Lambert, T. B. Marder
    Synthesis, photophysical and electronic properties of tetra-donor- or acceptor-substituted orthoperylenes displaying four reversible oxidations or reductions
    Chem. Sci. 2019, 10, 7516  
    DOI: 10.1039/c9sc02420d

    Griesbeck S.; Michail E.; Wang C.; Ogasawara H.; Lorenzen S.; Gerstner L.;  Zang T.; Nitsch J.; Sato Y.; Bertermann R.; Taki M; Lambert C.; Yamaguchi S.; Marder T.B.
    Tuning the p-Bridge of Quadrupolar Triarylborane Chromophores for One- and Two-Photon Excited Fluorescence Imaging of Lysosomes in Live Cells,
    Chem. Sci. 2019, 10, 5405
    DOI: 10.1039/C9SC00793H

    Ramler J.; Poater J.; Hirsch F.; Ritschel B.; Fischer I.; Bickelhaupt F. M.; Lichtenberg C.
    Carbon monoxide insertion at a heavy p-block element: unprecedented formation of a cationic bismuth carbamoyl
    Chem. Sci. 2019, 10, 4169 
    DOI: 10.1039/c9sc00278b

    Smit B.; Hüwe F.; Payne N.; Olaoye O.; Bauer I.; Pflaum J.; Schwoerer M.; Schwoerer H.
    Ultrafast Pathways of the Photoinduced Insulator–Metal Transition in a Low‐Dimensional Organic Conductor
    Adv. Mater.  2019, 31, 1900652
    DOI: 10.1002/adma.201900652

    Stennett T. E.; Bissinger P.; Griesbeck S.; Ullrich S.; Krummenacher I.; Auth M.; Sperlich A.; Stolte M.; Radacki K.; Yao C.-J.; Würthner F. ; Steffen A.; Marder T. B.; Braunschweig H.
    Near-Infrared Quadrupolar Chromophores Combining Three-Coordinate Boron-Based Superdonor and Superacceptor Units
    Angew. Chem. Int. Ed. 2019, 58, 6449 
    DOI: 10.1002/ange.201900889

    Légaré M.A.; Rang M.; Bélanger-Chabot G.; Schweizer J. I.; Krummenacher I.; Bertermann R.; Arrowsmith M.; Holthausen M. C.; Braunschweig H.
    The reductive coupling of dinitrogen
    Science  2019, 363, 1329-1332
    DOI: 10.1126/science.aav9593
    Vogt M.; Buschmann R.; Toksabay S.; Schmitt M.; Schwab M.; Bode M.; Krueger A.
    Self-Assembly and Electronic Structure of Tribenzotriquinacenes on Ag(111)
    J. Phys. Chem. C 2019,  123, 9, 5469-5478 
    DOI: 10.1021/acs.jpcc.8b11375
    Gasparini N.; Kahmann S.;, Salvador M.; Perea J. D.; Sperlich A.; Baumann A.; Li N.; Rechberger S.; Spiecker E.; Dyakonov V.; Portale G.; Loi M. A.; Brabec C.J.; Ameri T.
    Favorable mixing thermodynamics in ternary polymer blends for realizing high efficiency plastic solar cells
    Adv. Ener. Mat. 2019, 9, 1803394 
    DOI: 10.1002/aenm.201803394
    Meier, M. ; Ji, L.; Nitsch, J.; Krummenacher, I.; Deissenberger, A.; Auerhammer, D.; Schaefer, M.; Marder, T.B.; Braunschweig, H.
    Preparation and Characterization of a pi-Conjugated Donor-Acceptor System Containing the Strongly Electron-Accepting Tetraphenylborolyl Unit
    Chem. Eur. J. 2019, 25,  4707-4712 
    DOI: 10.1002/chem.201805454

    Reusch E.; Kaiser D.; Schleier D.; Buschmann R.; Krueger A.; Hermann T.; Engels B.; Fischer I.; Hemberger P.
    Pentadiynylidene and Its Methyl-Substituted Derivates: Threshold Photoelectron Spectroscopy of R1-C5-R2 Triplet Carbon Chains
    J. Phys. Chem. A 2019, 123, 2008-2017
    DOI: 10.1021/acs.jpca.8b12244
    Riese S.; Mungenast L.; Schmiedel A.; Holzapfel M.; Lukzen N. N.; Steiner U. E.; Lambert C.
    Nanoviscosity effect on the spin chemistry of an electron donor/Pt-complex /electron acceptor triad - classical and quantum kinetics interpretation
    Mol. Phys. 2019, 117, 2632
    DOI: 10.1080/00268976.2018.1511867

    Deissenberger, A.; Welz, E.; Drescher, R.; Krummenacher, I.; Dewhurst, R.D.; Engels, B.; Braunschweig, H.
    A New Class of Neutral Boron‐Based Diradicals Spanned by a Two-Carbon Bridge
    Angew. Chem. Int. Ed. 2019, 58, 1842
    DOI: 10.1002/ange.201813335

    Nach oben

    :::::::::::::::::::::::::::::::::::::::::::::::::::::::::::   2018   :::::::::::::::::::::::::::::::::::::::::::::::::::::::::::

    Issler, K.; Röder, A.; Hirsch, F.; Poisson, L.; Fischer, I.; Mitric, R.; Petersen, J.
    Excited state dynamics and time-resolved photoelectron spectroscopy of paraxylylene
    Faraday Discuss. 2018, 212, 83-100
    DOI: 10.1039/c8fd00083b

    Hirsch, F.; Reusch, E.; Constantinidis, P.; Fischer, I.; Bakels, S.; Rijs, A.M.; Hemberger, P.
    Self-Reaction of ortho-Benzyne at High Temperatures Investigated by Infrared and Photoelectron Spectroscopy
    J. Phys. Chem. A 2018, 122, 9563−9571
    DOI: 10.1021/acs.jpca.8b09640

    Coudert, L. H. Gans, B.; Holzmeier, F.; Loison, J.-C.; Garcia, G. A.; Alcaraz, C.; Lopes, A.; Röder, A.
    Experimental and theoretical threshold photoelectron spectra of methylene
    J. Chem. Phys. 2018, 149, 224304 
    DOI: 10.1063/1.5062834

    Schafer, J.Holzapfel, M.; Schmiedel, A.; Steiner, U.E.; Lambert, C.
    Fine tuning of electron transfer and spin chemistry parameters in triarylamine-bridge-naphthalene diimide dyads by bridge substituents
    Phys. Chem. Chem. Phys. 2018, 20,  27093-27104
    DOI: 10.1039/c8cp04910f

    Welz, E.;  Böhnke, J.; Dewhurst, R.D.; Braunschweig, H.; Engels, B.
    Unravelling the Dramatic Electrostructural Differences Between N-Heterocyclic Carbene- and Cyclic (Alkyl)(amino)carbene-Stabilized Low-Valent Main Group Species
    J. Am. Chem. Soc. 2018, 140, 12580−12591

    DOI: 10.1021/jacs.8b07644

    Hupp, B. ; Nitsch, J.; Schmitt, T.; Bertermann, R.; Edkins, K.; Hirsch, F. ; Fischer, I.; Auth, M.; Sperlich, A.; Steffen, A.
    Stimulus-Triggered Formation of an Anion-Cation Exciplex in Copper(I) Complexes as a Mechanism for Mechanochromic Phosphorescence
    Angew. Chem. Int. Ed. 2018, 57, 13671-13675    
    DOI: 10.1002/anie.201807768

    Riese, S.; Holzapfel, M.; Schmiedel, A.; Gert, I.; Schmidt, D.; Würthner, F.; Lambert, C.
    Photoinduced Dynamics of Bis-dipyrrinato-palladium(II) and Porphodimethenato-palladium(II) Complexes: Governing Near Infrared Phosphorescence by Structural Restriction
    Inorg. Chem. 2018, 57, 12480
    DOI: 10.1021/acs.inorgchem.8b00974

    Roy, D. K.; Krummenacher, I.; Stennett, TE.; Lenczyk, C.; Thiess, T.; Welz, E.; Engels, B.; Braunschweig, H.
    Selective one- and two-electron reductions of a haloborane enabled by a pi-withdrawing carbene ligand
    Chem. Comm. 2018, 54, 9015
    doi: 10.1039/c8cc03433h

    Welz, E.; Böhnke, J.;  Dewhurst, R. D. ; Braunschweig, H. Engels, B.
    Unravelling the Dramatic Electrostructural Differences Between N‐Heterocyclic Carbene- and Cyclic (Alkyl)(amino)carbene-Stabilized Low-Valent Main Group Species
    J. Am. Chem. Soc. 2018, 140, 12580

    Seufert, J; Welz, E; Krummenacher, I; Paprocki, V; Böhnke, J; Hagspiel, S; Dewhurst, RD; Tacke, R; Engels, B; Braunschweig, H.
    Isolation and Characterization of Crystalline, Neutral Diborane(4) Radicals
    Angew. Chem.-Int. Ed. 2018, 57, 10752  
    doi: 10.1002/anie.201804048

    Schleier D.; Humeniuk A.; Reusch E.; Holzmeier F.; Nunez-Reyes D.; Alcaraz C.; Garcia G. A.; Loison J.-C.; Fischer I. , Mitric R.
    Diborene: Generation and Photoelectron Spectroscopy of an Inorganic Biradical.
    J. Phys. Chem. Lett., 2018, 9, 5921-5925

    Hu, Y. H.; E. M. Hutter; P. Rieder; I. Grill; J. Hanisch; M. F. Ayguler; A. G. Hufnagel; M. Handloser; T. Bein; A. Hartschuh; K. Tvingstedt; V. Dyakonov; A. Baumann; T. J. Savenije; M. L. Petrus; P. Docampo
    Understanding the Role of Cesium and Rubidium Additives in Perovskite Solar Cells: Trap States, Charge Transport, and Recombination.
    Adv. Energy Mater., 2018, 8, 1703057

    Ma, X. N.; M. Wenzel; H. C. Schmitt; M. Flock; E. Reusch; R. Mitric; I. Fischer; T. Brixner
    Disentangling the photochemistry of benzocyclobutenedione.
    Phys. Chem. Chem. Phys., 2018, 20, 22, 15434-15444.

    Reiss, H.; L. Ji; J. Han; S. Koser; O. Tverskoy; J. Freudenberg; F. Hinkel; M. Moos; A. Friedrich; I. Krummenacher; C. Lambert; H. Braunschweig; A. Dreuw; T. B. Marder; U. H. F. Bunz 
    Bromination Improves the Electron Mobility of Tetraazapentacene
    Angewandte Chemie-International Edition, 2018, 57, 30, 9543-9547.

    Schleier, D.; P. Constantinidis; N. Fassheber; I. Fischer; G. Friedrichs; P. Hemberger; E. Reusch; B. Sztaray; K. Voronova
    Kinetics of the a-C3H5 + O2 Reaction, Investigated by Photoionization Using Synchrotron Radiation
    Phys. Chem. Chem. Phys., 2018, 20, 16, 10721-10731

    Steiner, U. E.; J. Schafer; N. N. Lukzen; C. Lambert
    J-Resonance Line Shape of Magnetic Field-Affected Reaction Yield Spectrum from Charge Recombination in a Linked Donor-Acceptor Dyad
    J. Phys. Chem. C, 2018, 122, 22, 11701-11708

    Ji L.; Krummenacher I.; Friedrich A.; Lorbach A.; Haehnel M.; Edkins K.; Braunschweig H.; Marder T. B.
    Synthesis, Photophysical, and Electrochemical Properties of Pyrenes Substituted with Donors or Acceptors at the 4- or 4,9-Positions
    J. Org. Chem., 2018, 83 (7), 3599–3606

    Böhnke J.; Dellermann T.; Celik M. A.; Krummenacher I.; Dewhurst R. D.; Demeshko S.; Ewing W. C.; Hammond K.; Heß M.; Bill E.; Welz E.; Röhr M. I. S.; Mitrić R.; Engels B.; Meyer F.; Braunschweig H.
    Isolation of diborenes and their 90°-twisted diradical congeners
    Nature Communications 9, 2018, 1197

    Rausch R.; Schmidt D.; Bialas D.; Krummenacher I.; Braunschweig H.; Würthner F.
    Stable Organic (Bi)Radicals by Delocalization of Spin Density into the Electron-Poor Chromophore Core of Isoindigo
    Chem. Eur. J. 2018, 24, 3420 –3424.

    Légaré, M.-A.; Bélanger-Chabot G.; Dewhurst R. D.; Welz E.; Krummenacher I.; Engels B.; Braunschweig H.
    Nitrogen fixation and reduction at boron
    Science 359, 2018, 896–900

    Kaiser, D.; Reusch, E.; Hemberger, P.; Bodi, A.; Welz, E.; Engels, B.; Fischer, I.
    The ortho-Benzyne Cation is Not Planar
    Phys. Chem. Chem. Phys., 2018, 20, 3988-3996

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    :::::::::::::::::::::::::::::::::::::::::::::::::::::::::::   2017   :::::::::::::::::::::::::::::::::::::::::::::::::::::::::::

    Ji L., Friedrich A.; Krummenacher I.; Eichhorn A., Braunschweig H.; Moos M.; Hahn S.; Geyer F.; Tverskoy O.; Han J.; Lambert C.; Dreuw A.; Marder TB.; Bunz U. H. F.
    Preparation, Properties, and Structures of the Radical Anions and Dianions of Azapentacenes
    J. Am. Chem. Soc. 2017, 139 (44), pp 15968–15976

    Merz J.; Fink J.; Friedrich A.; Krummenacher I.; Al Mamari HH.; Lorenzen S.; Haehnel M.; Eichhorn A.; Moos M.; Holzapfel M.; Braunschweig H.; Lambert C.; Steffen A.; Ji L.; Marder TB.
    Pyrene Molecular Orbital Shuffle—Controlling Excited State and Redox Properties by Changing the Nature of the Frontier Orbitals
    Chem. Eur. J. 2017, 23, 13164–13180

    Brueckner, C.; Stolte, M.; Wuerthner, F.;Pflaum J.; Engels B.
    QM/MM calculations combined with the dimer approach on the static disorder at organic-organic interfaces of thin-film organic solar cells composed of small molecules
    J Phys Org Chem. 2017, 30, 1099-1395

    Eckstein K.; Hartleb H.; Achsnich M.; Schöppler.; Hertel T.
    Localized Charges Control Exciton Energetics and Energy Dissipation in Doped Carbon Nanotubes
    ACS Nano, 2017,  11, 10, 10401-10408

    Hupp, B.; Schiller, C.; Lenczyk, C.; Stanoppi, M.; Edkins, K.; Lorbach, A.; Steffen, A.
    Synthesis, Structures, and Photophysical Properties of a Series of Rare Near-IR Emitting Copper(I) Complexes
    J. Am. Chem. Soc. 2017, 56 (15),  8996–9008

    Hailmann, M.; Wolf N.; Renner R.; Hupp, B.; Steffen, A.; Finze, M.
    Silver(I) Clusters with Carba-closo-dodecaboranylethynyl Ligands: Synthesis, Structure, and Phosphorescence
    Chem. Eur. J. 2017, 23, 11684–11693

    Brückner, C.; Engels, B.
    Benchmarking singlet and triplet excitation energies of molecular semiconductors for singlet fission: Tuning the amount of HF exchange and adjusting local correlation to obtain accurate functionals for singlet-triplet gaps
    Chemical Physics 2017, 482, 319-338

    Brückner, C.; Würthner, F.; Meerholz, K.; Engels, B.
    Structure-Property Relationships from Atomistic Multiscale Simulations of the Relevant Processes in Organic Solar Cells. I. Thermodynamic Aspects
    Journal of Physical Chemistry C 2017, 121, 4-25

    Brückner, C.; Würthner, F.; Meerholz, K.; Engels, B.
    Atomistic Approach To Simulate Processes Relevant for the Efficiencies of Organic Solar Cells as a Function of Molecular Properties. II. Kinetic Aspects
    Journal of Physical Chemistry C 2017, 121, 26-51

    Burrezo, P. M.; Lin, N. T.; Nakabayashi, K.; Ohkoshi, S.; Calzado, E. M.; Boj, P. G.; Garcia, M. A. D.; Franco, C.; Rovira, C.; Veciana, J.; Moos, M.; Lambert, C.; Navarrete, J. T. L.; Tsuji, H.; Nakamura, E.; Casado, J.
    Bis(aminoaryl) Carbon-Bridged Oligo(phenylenevinylene)s Expand the Limits of Electronic Couplings
    Angewandte Chemie-International Edition 2017, 56, 2898-2902

    Gans, B.; Garcia, G. A.; Holzmeier, F.; Kruger, J.; Röder, A.; Lopes, A.; Fittschen, C.; Loison, J. C.; Alcaraz, C.
    Communication: On the first ionization threshold of the C2H radical
    Journal of Chemical Physics 2017, 146

    Gernert, M.; Muller, U.; Haehnel, M.; Pflaum, J.; Steffen, A.
    A Cyclic Alkyl(amino)carbene as Two-Atom π-Chromophore Leading to the First Phosphorescent Linear Cu-I Complexes
    Chemistry - A European Journal 2017, 23, 2206-2216

    Hobbollahi, E.; List, M.; Hupp, B.; Mohr, F.; Berger, R. J. F.; Steffen, A.; Monkowius, U.
    Highly efficient cold-white light emission in a [Au2CuCl2(P∩N)2]PF6 type salt
    Dalton Transactions 2017, 46, 3438-3442

    Ji, L.; Griesbeck, S.; Marder, T. B.
    Recent developments in and perspectives on three-coordinate boron materials: a bright future
    Chemical Science 2017, 8, 846-863

    Lukzen, N. N.; Klein, J. H.; Lambert, C.; Steiner, U. E.
    The Quantum Dynamical Basis of a Classical Kinetic Scheme Describing Coherent and Incoherent Regimes of Radical Pair Recombination
    Zeitschrift Fuer Physikalische Chemie-International Journal of Research in Physical Chemistry & Chemical Physics 2017, 231, 197-223

    Röder, A.; Humeniuk, A.; Giegerich, J.; Fischer, I.; Poisson, L.; Mitric, R.
    Femtosecond time-resolved photoelectron spectroscopy of the benzyl radical
    Physical Chemistry Chemical Physics 2017, 19, 12365-12374

    Röder, A.; Issler, K.; Poisson, L.; Humeniuk, A.; Wohlgemuth, M.; Comte, M.; Lepetit, F.; Fischer, I.; Mitric, R.; Petersen, J.
    Femtosecond dynamics of the 2-methylallyl radical: A computational and experimental study
    Journal of Chemical Physics 2017, 147

    Schmitt, H. C.; Flock, M.; Welz, E.; Engels, B.; Schneider, H.; Radius, U.; Fischer, I.
    Electronic Structure and Excited-State Dynamics of an Arduengo-Type Carbene and its Imidazolone Oxidation Product
    Chemistry - A European Journal 2017, 23, 3084-3090

    Seifert, S.; Schmidt, D.; Shoyama, K.; Würthner, F.
    Base-Selective Five- versus Six-Membered Ring Annulation in Palladium-Catalyzed C-C Coupling Cascade Reactions: New Access to Electron-Poor Polycyclic Aromatic Dicarboximides
    Angewandte Chemie-International Edition 2017, 56, 7595-7600

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    :::::::::::::::::::::::::::::::::::::::::::::::::::::::::::   2016   :::::::::::::::::::::::::::::::::::::::::::::::::::::::::::

    Stehr, V.; Fink, R.F.; Deibel, C.; Engels, B.
    Charge carrier mobilities in organic semiconductor crystals based on the spectral overlap
    J. Comp. Chem  2016, 37, 2146
    DOI: 10.1002/jcc.24441

    Bellinger, D.; Settels, V.; Liu, W. L.; Fink, R. F.; Engels, B.
    Influence of a Polarizable Surrounding on the Electronically Excited States of Aggregated Perylene Materials
    Journal of Computational Chemistry 2016, 37, 1601-1610

    Brückner, C.; Walter, C.; Engels, B.
    Theoretical Investigation of the Interactions Between the π-Systems of Molecular Organic Semiconductors and an Analysis of the Contributions of Repulsion and Electrostatics
    International Journal of Quantum Chemistry 2016, 116, 1138-1152

    Gans, B.; Holzmeier, F.; Kruger, J.; Falvo, C.; Röder, A.; Lopes, A.; Garcia, G. A.; Fittschen, C.; Loison, J. C.; Alcaraz, C.
    Synchrotron-based valence shell photoionization of CH radical
    Journal of Chemical Physics 2016, 144

    Hailmann, M.; Wolf, N.; Renner, R.; Schafer, T. C.; Hupp, B.; Steffen, A.; Finze, M.
    Unprecedented Efficient Structure Controlled Phosphorescence of Silver(I) Clusters Stabilized by Carba-closo-dodecaboranylethynyl Ligands
    Angewandte Chemie-International Edition 2016, 55, 10507-10511

    Holzmeier, F.; Wagner, I.; Fischer, I.; Bodi, A.; Hemberger, P.
    Pyrolysis of 3-Methoxypyridine. Detection and Characterization of the Pyrrolyl Radical by Threshold Photoelectron Spectroscopy
    Journal of Physical Chemistry A 2016, 120, 4702-4710

    Molitor, S.; Gessner, V. H.
    Alkali Metal Carbenoids: A Case of Higher Stability of the Heavier Congeners
    Angewandte Chemie-International Edition 2016, 55, 7712-7716

    Seifert, S.; Schmidt, D.; Würthner, F.
    A cross-coupling-annulation cascade from peri-dibromonaphthalimide to pseudo-rylene bisimides Organic Chemistry Frontiers 2016, 3, 1435-1442

    Seifert, S.; Shoyama, K.; Schmidt, D.; Würthner, F.
    An Electron-Poor C64 Nanographene by Palladium-Catalyzed Cascade C-C Bond Formation: One-Pot Synthesis and Single-Crystal Structure Analysis
    Angewandte Chemie-International Edition 2016, 55, 6390-6395

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    :::::::::::::::::::::::::::::::::::::::::::::::::::::::::::   2015   :::::::::::::::::::::::::::::::::::::::::::::::::::::::::::

    Ji, L.; Edkins, R.M.; Lorbach, A; Krummenacher, I; Bruckner, C.; Eichhorn, A.; Braunschweig, H.; Engels, B.; Low, P.J.; Marder, T.B.
    Electron Delocalization in Reduced Forms of 2-(BMes(2))pyrene and 2,7-Bis(BMes(2))pyrene
    J. Am. Chem. Soc.,  2015, 137, 6750-6753
    DOI: 10.1021/jacs.5b03805

    Holzmeier, F.; Lang, M.; Fischer, I.; Hemberger, P.; Garcia, G. A.; Tang, X.; Loison, J. C.
    Assignment of high-lying bending mode levels in the threshold photoelectron spectrum of NH2: a comparison between pyrolysis and fluorine-atom abstraction radical sources
    Physical Chemistry Chemical Physics 2015, 17, 19507-19514

    Klein, J. H.; Schmidt, D.; Steiner, U. E.; Lambert, C.
    Complete Monitoring of Coherent and Incoherent Spin Flip Domains in the Recombination of Charge-Separated States of Donor-Iridium Complex-Acceptor Triads
    Journal of the American Chemical Society 2015, 137, 11011-11021

    Schmidt, D.; Son, M.; Lim, J. M.; Krummenacher, I.; Braunschweig, H.; Kim, D.; Würthner, F. Perylene Bisimide Radicals and Biradicals: Synthesis and Molecular Properties
    Angewandte Chemie-International Edition 2015, 54, 13980-13984

    Nach oben