English Intern
    Lichtinduzierte Dynamik in molekularen Aggregaten

    Veröffentlichungen der FOR 1809

    Jahr: 2017201620152014 | 2013

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

    B. Engels, V. Engel
    Thedimer-approach to characterize opto-electronic properties of exciton trapping and diffusion in organic semiconductor aggregates and crystals
    Phys. Chem. Chem. Phys.
     , (2017) Advanced article
    http://dx.doi.org/10.1039/C7CP01599B

    M. Falge, F. Fröbel, V. Engel, S. Gräfe
    Time-resolved photoelectron spectroscopy of IR-driven electron dynamics in a charge transfer model system. 
    Phys. Chem. Chem. Phys.
     , 1-9 (2017)
    http://dx.doi.org/10.1039/C7CP01832K

    T. Schaupp, J. Albert, V. Engel
    Correlated electron-nuclear dissociation dynamics: classical versus quantum motion
    Eur. Phys. J. D
     71, 91 (2017)
    http://dx.doi.org/10.1140/epjd/e2017-70725-6

    K. Hader, J. Albert, E.K.U. Gross, V. Engel
    Electron-nuclear wave-packet dynamics through a conical intersection
    J. Chem. Phys.
     146, 074304 (2017)
    http://dx.doi.org/10.1063/1.4975811

    D. Bellinger, J. Pflaum, C. Brüning, V. Engel, B. Engels
    The electronic character of PTCDA thin films in comparison to other perylene-based organic semi-conductors: ab initio-, TD-DFT and semi-empirical computations of the opto-electronic properties of large aggregates
    Phys. Chem. Chem. Phys.
      19, 2434 (2017)
    http://dx.doi.org/10.1039/C6CP07673D


    S. Väth, K. Tvingstedt, M. Auth, A. Sperlich, A. Dabuliene, J. V. Grazulevicius, P. Stakhira, V. Cherpak, V. Dyakonov

    Direct Observation of Spin States involved in Organic Electroluminescence Based on Thermally Activated Delayed Fluorescence
    Adv. Optical Mater. 5, 1600926 (2017)
    doi.org/10.1002/adom.201600926

    F. Koch, M. Stolte, A. Zitzler-Kunkel, D. Bialas, A. Steinbacher, T. Brixner, F. Würthner
    Unraveling the structure and exciton coupling for multichromophoric merocyanine dye molecules
    Phys. Chem. Chem. Phys. 19, 6368 (2017)
    doi.org/10.1039/c7cp00115k


    P. Spenst, R. M. Young, B. T. Phelan, M. K. Keller, J. Dostál, T. Brixner, M. R. Wasielewski, F. Würthner
    Solvent-Templated Folding of Perylene Bisimide Macrocycles into Coiled Double-String Ropes with Solvent-Sensitive Optical Signatures
    J. Am. Chem. Soc. 139, 2014-2021 (2017)
    doi.org/10.1021/jacs.6b11973

    C. Brüning, V. Engel
    On the time-dependent calculation of angular averaged vibronic absorption spectra with an application to molecular aggregates
    Chem. Phys(2016)
    http://dx.doi.org/10.1016/j.chemphys.2016.08.019

    Nach oben

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


    P. K. Verma, A. Steinbacher, A. Schmiedel, P. Nuernberger, T. Brixner
    Excited-state intramolecular proton transfer of 2-acetylindan-1,3-dione studied by ultrafast absorption and fluorescence spectroscopy
    Struct. Dyn. 3, 023606 (2016)
    dx.doi.org/10.1063/1.4937363

    M. Keß, V. Engel
    Two-dimensional femtosecond optical spectroscopy of trapping dynamics in a charge-transfer process
    Chem. Phys. Lett. 650, 41 (2016)
    http://dx.doi.org/10.1016/j.cplett.2016.02.046


    C. Brüning, J. Wehner, J. Hausner, M. Wenzel, V. Engel
    Exciton dynamics in perturbed vibronic molecular aggregates
    Struct. Dyn. 3, 043201 (2016)
    http://dx.doi.org/10.1063/1.4936127

    F. Koch, A. Steinbacher, C. Consani, A. Zitzler-Kunkel, M. Stolte, F. Würthner, T. Brixner
    The Role of the Dipolar Neighborhood on the Relaxation Dynamics of Multichromophoric Merocyanine
    Phys. Chem. Chem. Phys. 2016, 18, 19820–19831
    10.1039/c6cp02437h

    P. Spenst, R. M. Young, M. R. Wasielewski, F. Würthner
    Guest and Solvent Modulated Photo-Driven Charge Separation and Triplet Generation 
    in a Perylene Bisimide Cyclophane
    Chem. Sci. 2016, 7, 5428–5434
    10.1039/c6sc01574c


    P.-A. Plötz, P. Polyutov, S. D. Ivanov, F. Fennel, S. Wolter, T. Niehaus, Z. Xie, S. Lochbrunner, F. Würthner, O. Kühn
    Biphasic Aggregation of a Perylene Bisimide Dye Identified by Exciton-Vibrational Spectra.
    Phys.Chem.Chem.Phys. 2016, 18, 25110–25119
    10.1039/c6cp04898f


    X. Mia, J. Dostál, T. Brixner
    Broadband 7-fs diffractive-optic-based 2D electronic spectroscopy using hollow-core fiber compression
    Optics Express, 24, 18 (2016)
    10.1364/OE.24.020781


    C. Brückner, C. Walter, B. Engels
    Theoretical investigation of the interactions between the pi-systems of molecular organic semiconductors and an analysis of the contributions of repulsion and electrostatics
    Int. J. Quant. Chem. 2016, 15, 1138-1152
    10.1002/qua.25147


    V. Stehr, R. Fink, C. Deibel, B. Engels
    Charge Carrier Mobilities in Organic Semiconductor Crystals Based on the Spectral Overlap
    J. Comp. Chem. 2016, 37, 2146-2156.
    10.1002/jcc.24441


    C. Brückner, B. Engels
    A Theoretical Description of Charge Reorganization Energies in Molecular Organic pi-Type Semiconductors
    J. Comp. Chem. A. 2016, 37, 1335-1344.
    10.1002/jcc.24325


    D. Belling, V. Settels, W. Liu, R. Fink, B. Engels
    Influence of a Polarizable Surrounding on the Electronically Excited States of Aggregated Perylene Materials
    J. Comp. Chem. A. 2016, 37, 1601-1610.
    10.1002/jcc.24376

    J. Wehner, V. Engel
    Two-dimensional optical spectroscopy of homo- and heterodimers
    Phys. Chem. Chem. Phys. 18, 32910-32920 (2016)
    http://dx.doi.org/10.1039/C6CP04936B


    D. Bialas, C. Brüning, F. Schlosser, B. Fimmel, J. Thien, V. Engel, F. Würthner
    Exciton-Vibrational Couplings in Homo- and Heterodimer Stacks of Perylene Bisimide Dyes within Cyclophanes: Studies on Absorption Properties and Theoretical Analysis
    Chem. Eur. J. 22, 15011 (2016)
    http://dx.doi.org/10.1002/chem.201603205


    M. Keß, G. Worth, V. Engel
    Two-dimensional vibronic spectroscopy of molecular aggregates: Trimers, dimers, and monomers
    J. Chem. Phys. 145, 084305 (2016) 
    http://dx.doi.org/10.1063/1.4961388

    C. Lambert, M. Moos, A. Schmiedel, M. Holzapfel, J. Schäfer, M. Kess, V. Engel
    How fast is optically induced electron transfer in organic mixed valence systems?
    Phys. Chem. Chem. Phys18, 19405 (2016) 
    dx.doi.org/10.1039/C6CP03053J

    J. Albert, D. Kaiser, V. Engel
    Communication: Adiabatic and non-adiabatic electron-nuclear motion: Quantum and classical dynamics
    J. Chem. Phys144, 171103 (2016) 
    dx.doi.org/10.1063/1.4948777

    K. Hader, V. May, C. Lambert, V. Engel
    Identification of effective exciton-exciton annihilation in squaraine-squaraine copolymers
    Phys. Chem. Chem. Phys. (2016)
    http://dx.doi.org/10.1039/C6CP01780K

    Nach oben

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

    B. Fimmel, M. Son, Y. M. Sung, M. Grüne, B. Engels, D. Kim, F. Würthner
    Phenylene Ethynylene-Tethered Perylene Bisimide Folda-Dimer and Folda-Trimer:
    Investigations of Folding Features in Ground and Excited States
    Chem. Eur. J. 2015, 21, 615–630
    10.1002/chem.201405231

    P. D. Frischmann, V. Kunz, V. Stepanenko, F. Würthner
    Subcomponent Self-Assembly of a 4 nm M4L6 Tetrahedron with ZnII Vertices and Perylene Bisimide Dye Edges
    Chem. Eur. J. 2015, 21, 2766–2769
    101002/chem.201405866

    M. Son, B. Fimmel, V. Dehm, F. Würthner, D. Kim
    Folding-Induced Modulation of Excited-State Dynamics in an Oligophenylene-
    Ethynylene-Tethered Spiral Perylene Bisimide Aggregate
    ChemPhysChem, 2015, 16, 1757–1767
    10.1002/cpc.201500156

    P. D. Frischmann, V. Kunz, F. Würthner
    Bright Fluorescent and Host-Guest Sensing with a Nanoscale M4L6 Tetrahedron Accessed by Self-Assembly of Zinc-Imine Chelate Vertices and Perylene Bisimide Edges
    Angew. Chem. 2015, 127, 7393–7397; Angew. Chem. Int. Ed. 2015, 54, 7285–7289
    10.1002/anie.201501670

    P. Spenst, F. Würthner
    A Perylene Bisimide Cyclophane as a "Turn-On" and "Turn-Off" Fluorescence Probe
    Angew. Chem. 2015, 127, 10303–10306 
    Angew. Chem. Int. Ed
    . 2015, 54, 10165–10168
    10.1002/anie.201503542    
     

    V. Stepanenko, R. Kandanelli, S. Uemura, F. Würthner, G. Fernández
    Concentration-Dependent Rhombitrihexagonal Tiling Patterns at the Liquid/Solid Interface
    Chem. Sci. 2015, 6 5853–5858
    10.1039/c5cs00811e

    Y. Wu, R. M. Young, M. Frasconi, S. T. Schneebeli, P. Spenst, D. M. Gardner, K. E. Brown, F. Würthner, J. Fraser Stoddart, M. R. Wasielewski
    Ultrafast Photoinduced Symmetry-Breaking Charge Separation and Electron Sharing in Perylenediimide Molecular Triangles
    J. Am. Chem. Soc. 2015, 137, 13236–13239
    10.1021/jacs.5b08386


    J. Sung, P. Kim, B. Fimmel, F. Würthner, D. Kim
    Direct Observation of Ultrafast Coherent Exciton Dynamics in Helical pi-Stacks of Self-Assembled Perylene Bisimides
    Nat. Commun. 20156, 8646
    10.1038/ncomms9646


    P. Nuernberger, S. Ruetzel, T. Brixner
    Multidimensional Electronic Spectroscopy of Photochemical Reactions
    Angew. Chem. Int. Ed. 54, 11368–11386 (2015)
    Angew. Chem. 127, 11526–11546 (2015)
    dx.doi.org/10.1002/anie.201502974


    P. K. Verma, A. Steinbacher, F. Koch, P. Nuernberger, T. Brixner
    Monitoring ultrafast intramolecular proton transfer processes in an unsymmetric β-diketone
    Phys. Chem. Chem. Phys. 17, 8459–8466 (2015)
    dx.doi.org/10.1039/c4cp05811a

    J. Albert, M. Falge, S. Gomez, I. R. Sola, H. Hildenbrand, V. Engel
    Communication: Vibrational and vibronic coherences in the two dimensional spectroscopy of coupled electron-nuclear motion
    J. Chem. Phys. 143, 041102 (2015)
    dx.doi.org/10.1063/1.4927396

    J. Albert, M. Falge, M. Keß, J. G. Wehner, P. Zhang, A. Eisfeld, V. Engel
    Extended quantum jump description of vibronic two-dimensional spectroscopy
    J. Chem. Phys. 142, 212440 (2015)
    dx.doi.org/10.1063/1.4919870

    C. Brüning, E. Welz, A. Heilos, V. Stehr, C. Walter, B. Engels, S. F. Völker, C. Labert, V. Engel
    Macrocyclic cis-Indolenine Squaraine Dyes as Efficient Near Infrated Emitters
    J. Phys. Chem. 191, 6174 (2015)
    dx.doi.org/10.1021/jp5120916


    C. Brückner, B. Engels

    Benchmarking Ground-State Geometries and Vertical Excitation Energies of a Selection of p-Type Semiconducting Molecules with Different Polarity
    J. Phys. Chem. A. 2015, 119, 12876-12891.
    10.1021/acs.jpca.5b10315

    Nach oben

    :::::::::::::::::::::::::::::::::::::::::::::::::::::::::::   2014   :::::::::::::::::::::::::::::::::::::::::::::::::::::::::::

    B. Gieseking, T. Schmeiler, B. Müller, C. Deibel, B. Engels, V. Dyakonov, J. Pflaum
    Effects of Characteristic Length Scales on the Exciton Dynamics in Rubrene Single Crystals
    Phys. Rev. B, 90, 205305 (2014)
    dx.doi.org/10.1103/PhysRevB.90.205305

    A.K. Topczak, T. Roller, B. Engels, W. Brütting, J. Pflaum
    Nonthermally activated exciton transport in crystalline organic semiconductor thin films
    Phys. Rev. B 89, 201203(R) (2014)
    dx.doi.org/10.1103/PhysRevB.89.201203

    V. Settels, A. Schubert, M. Tafipolski, W. Liu, V. Stehr, A. K. Topczak, J. Pflaum, C. Deibel, R. F. Fink, V. Engel, B. Engels
    Identification of Ultrafast Relaxation Processes As a Major Reason for Inefficient Exciton Diffusion in Perylene-Based Organic Semiconductors
    J. Am. Chem. Soc. (2014)
    dx.doi.org/10.1021/ja413115h

    J. Wehner, M. Falge, W. T. Strunz, V. Engel
    Quantum diffusion wave-function approach to two-dimensional vibronic spectroscopy
    J. Chem. Phys. 141, 134306 (2014)
    dx.doi.org/10.1063/1.4896705

    K. Hader, V. Engel
    Coherent and incoherent contributions to the carrier-envelope phase control of wave packet localization in quantum double wells
    J. Chem. Phys. 140, 184316 (2014)
    dx.doi.org/10.1063/1.4874876

    F. Kanal, S. Keiber, R. Eck, T. Brixner
    100-kHz shot-to-shot broadband data acquisition for high-repetition-rate pump-probe spectroscopy
    Optics Express, 14, 16965-16975 (2014)
    dx.doi.org/10.1364/OE.22.016965

    A. Zusan, K. Vandewal, B. Allendorf, N. H. Hansen, J. Pflaum, A. Salleo, V. Dyakonov, C. Deibel
    The Crucial Influence of Fullerene Phases on the Photogeneration in Organic Bulk Heterojunction Solar Cells
    Advanced Energy Materials (accepted)
    dx.doi.org/10.1002/aenm.201400922

    A. Schubert, M. Falge, M. Kess, V. Settels, S. Lochbrunner, W. T. Strunz, F. Würthner, B. Engels, V. Engel
    Theoretical Analysis of the Relaxation Dynamics in Perylene Bisimide Dimers Excited by Femtosecond Laser Pulses
    J. Phys. Chem. A, 118, 1403 (2014)
    dx.doi.org/10.1021/jp412166a

    Á. J. Jiménez, M.-J. Lin, C. Burschka, J. Becker, V. Settels, B. Engels, F. Würthner
    Structure - property relationships for 1,7-diphenoxy-perylene bisimides in solution and in the solid state
    Chem. Sci, 5, 608 (2014)
    dx.doi.org/10.1039/c3sc52344f

    V. Stehr, B. Engels, C. Deibel, R. F. Fink
    Anisotropy of singlet exciton diffusion in organic semiconductor crystals from ab initio approaches
    J. Chem. Phys. 140, 024503 (2014)
    dx.doi.org/10.1063/1.4858464

    V. Stehr, R. F. Fink, B. Engels, J. Pflaum, C. Deibel
    Singlet Exciton Diffusion in Organic Crystals Based on Marcus Transfer Rates
    J. Chem. Theory Comput. 10, 1242 (2014)
    dx.doi.org/10.1021/ct500014h

    S. Ruetzel, M. Diekmann, P. Nuernberger, C. Walter, B. Engels, T. Brixner
    Multidimensional spectroscopy of photoreactivity
    PNAS, 111, 4764 (2014)
    dx.doi.org/10.1073/pnas.1323792111

    M. Kess, C. Brüning, V. Engel
    Multiple time scale population transfer-dynamics in coupled electronic states
    Chem. Phys. (2014)
    dx.doi.org/10.1016/j.chemphys.2014.01.011

    M. Gsänger, E. Kirchner, M. Stolte, C. Burschka, V. Stepanenko, J. Pflaum, F. Würthner
    High-Performance Organic Thin-Film Transistors of J-Stacked Squaraine Dyes
    J. Am. Chem. Soc. 136, 2351-2362 (2014)
    dx.doi.org/10.1021/ja409496r

    Z. Birech, M. Schwoerer, T. Schmeiler, J. Pflaum, H. Schwoerer
    Ultrafast dynamics of excitons in tetracene single crystals
    J. Chem. Phys. 140, 114501 (2014)
    dx.doi.org/10.1063/1.4867696

    S. F. Völker, T. Dellermann, H. Ceymann, M. Holzapfel, C. Lambert
    Synthesis, Electrochemical, and Optical Properties of Low Band Gap Homo- and Copolymers Based on Squaraine Dye
    Journal of Polymer Science, Part A: Polymer Chemistry, 52, 890-911 (2014)
    dx.doi.org/10.1002/pola.27073

    I. Hwang, U.Selig, S. S. Y. Chen, P. E. Shaw, T. Brixner, P. L. Burn, G. D. Scholes
    Photophysics of Delocalized Excitons in Carbazole Dendrimers
    J. Phys. Chem. A,
     117, 6270-6278 (2014)
    dx.doi.org/10.1021/jp4006845

    Nach oben

    :::::::::::::::::::::::::::::::::::::::::::::::::::::::::::   2013   :::::::::::::::::::::::::::::::::::::::::::::::::::::::::::

    B. Stender, S. F. Völker, C. Lambert, J. Pflaum
    Optoelectronic Processes in Squaraine Dye-Doped OLEDs for Emission in the Near-Infrared
    Adv. Mater. 25, 2943-2947 (2014)
    dx.doi.org/10.1002/adma.201204938 

    J.-E. Lee, V. Stepanenko, J. Yang, H. Yoo, F. Schlosser, D. Bellinger, B. Engels, I. G. Scheblykin, F. Würthner, D. Kim
    Structure - Property Relationship of Perylene Bisimide Macrocycles Probed by Atomic Force Microscopy and Single-Molecule Fluorescence Spectroscopy
    ACSNANO, 7, 5064 (2013)
    dx.doi.org/10.1021/nn400616

    F. Zieschang, A. Schmiedel, M. Holzapfel, K. Ansorg, B. Engels, C. Lambert
    Solvent Controlled Energy Transfer Processes in Triarylamine-Triazole Based Dendrimers
    J. Phys. Chem. C, 117, 19816 (2013)
    dx.doi.org/10.1021/jp404708x

    F. Schlosser, M. Moos, C. Lambert, F. Würthner
    Redox-Switchable Intramolecular pi-pi-Stacking of Perylene Bisimide Dyes in a Cydlophane
    Adv. Mater 25, 410-414 (2013)
    dx.doi.org/10.1002/adma.201201266

    S. Ruetzel, M. Kullmann, J. Buback, P. Nuernberger, T. Brixner
    Tracing the Steps of Photoinduced Chemical Reactions in Organic Molecules by Coherent Two-Dimensional Electronic Spectroscopy Using Triggered Exchange
    Phys. Rev. Lett. 110, 148305 (2013)
    dx.doi.org/10.1103/PhysRevLett.110.148305

    S. F. Völker, A. Schmiedel, M. Holzapfel, C. Böhm, C. Lambert
    Charge Transfer Dynamics in squaraine-naphthalene diimide copolymers
    Phys. Chem. Chem. Phys, 15, 19831-19844 (2013)
    dx.doi.org/10.1039/c3cp53455c


    J. Knorr, P. Rudolf, P. Nuernberger

    A comparative study on chirped-pulse upconversion and direct multichannel MCT detection
    Opt. Express, 21, 30693-30706 (2013)
    dx.doi.org/10.1364/OE.21.030693

     
    F. Koch, M. Kullmann, U. Selig, P. Nuernberger, D. C. G. Goetz, G. Bringmann, T. Brixner
    Coherent two-dimensional electronic spectroscopy in the Soret band of a chiral porphyrin dimer
    New Journal of Physics, 15, 025006 (2013)
    dx.doi.org/10.1088/1367-2630/15/025006


    J. Albert, A. Schubert, V. Engel
    Two-dimensional vibronic spectroscopy of molecular predissociation
    New Journal of Physics, 15, 025008 (2013)
    dx.doi.org/10.1088/1367-2630/15/025008

    A. Schubert, V. Settels, W. Liu, F. Würthner, C. Meier, R. F. Fink, S. Schindlbeck, S. Lochbrunner, B. Engels, V. Engel
    Ultrafast Exciton Self-Trapping upon Geometry Deformation in Perylene-Based Molecular Aggregates
    J. Phys. Chem. Lett., 4, 792-796 (2013)
    dx.doi.org/10.1021/jz4000752

    K. Renziehausen, K. Hader, W. Jakubetz, V. Engel
    Weak-Field, Multiple-Cycle Carrier Envelope Phase Effects in Laser Excitation
    Chem. Phys. Chem., 14, 1464-1470 (2013)
    dx.doi.org/10.1002/cphc.201200946

    U. Selig, P. Nuernberger, V. Dehm, V. Settels, M. Gsaenger, B. Engels, F. Würthner, T. Brixner
    Similarities and Differences in the Optical Response of Perylene-Based Hetero-Bichromophores and Their Monomeric Units
    Chem. Phys. Chem., 14, 1412-1422 (2013)
    dx.doi.org/10.1002/cphc.201300062

    K. Hader, K. Renziehausen, V. Engel
    Carrier envelope phase effects induced by weak multicycle pulses: Localized quantum dynamics in double well potentials
    Chem. Phys. Lett., 579, 23-27 (2013)
    dx.doi.org/10.1016/j.cplett.2013.06.020

    C. Bruening, K. Renziehausen, V. Engel
    On the parameterization of vibronic Hamiltonians for molecular aggregates using absotption line-shapes as an input
    J. Chem. Phys., 139, 054303 (2013)
    dx.doi.org/10.1063/1.4816765


    F. Fennel, S. Wolter, Z. Xie, P.-A. Plötz, O. Kühn, F. Würthner, S. Lochbrunner
    Biphasic Self-Assembly Pathways and Size-Dependent Photophysical Properties of Perylene Bisimide Dye Aggregates
    J. Am. Chem. Soc., 135, 18722-18725 (2013)
    dx.doi.org/10.1021/ja409597x


    J. M. Lim, P. Kim, M.-C. Yoon, J. Sung, V. Dehm, Z. Chen, F. Würthner, D. Kim
    Exciton delocalization and dynamics in helical π-stacks of self-assembled perylene bisimides
    Chem. Sci., 4, 388 (2013)
    dx.doi.org/10.1039/c2sc21178e

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