Publikationen

Veröffentlichungen der FOR 1809

Jahr: 2017 | 2016 | 2015 | 2014 | 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

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:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::   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. Phys. 18, 19405 (2016) 
http://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. Phys. 144, 171103 (2016) 
http://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

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:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::   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 Zn^II 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. 2015, 6, 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

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:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::   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

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:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::   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

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