Publications

2022 | 2021 | 2020 | 2019 |  2018 | 2017 | 2016 | 2015

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

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. 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
doi:10.1021/jacs.8b07644

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
http://dx.doi.org/10.021/acs.jpclett.8b02338

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
http://dx.doi.org/10.1002/aenm.201703057

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.
http://dx.doi.org/10.1039/c8cp01937a

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.
http://dx.doi.org/10.1002/anie.201805728

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
http://dx.doi.org/10.1039/c7cp07893e

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
http://dx.doi.org/10.1021/acs.jpcc.8b02904

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
http://dx.doi.org/10.1021/acs.joc.7b03227

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
http://dx.doi.org/10.1038/s41467-018-02998-3

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.
http://dx.doi.org/10.1002/chem.201706002

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
http://doi.org/10.1126/science.aaq1684

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
http://dx.doi.org/10.1039/C7CP08055G

Nach oben

:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::   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
http://dx.doi.org/10.1021/jacs.7b09460

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
http://dx.doi.org/10.1002/chem.201702594

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
http://dx.doi.org/10.1002/poc.3740

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
http://dx.doi.org/10.1021/acsnano.7b05543

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
http://dx.doi.org/10.1021/acs.inorgchem.7b00958

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
http://dx.doi.org/10.1002/chem.201702515

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
http://dx.doi.org/10.1016/j.chemphys.2016.08.023

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
http://dx.doi.org/10.1021/acs.jpcc.6b06755

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
http://dx.doi.org/10.1021/acs.jpcc.6b11340

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
http://dx.doi.org/10.1002/ange.201610921

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
http://dx.doi.org/10.1063/1.4973383

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
http://dx.doi.org/10.1002/chem.201605412

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
http://dx.doi.org/10.1039/C7DT00180K

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
http://dx.doi.org/10.1039/C6SC04245G

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
http://dx.doi.org/10.1515/zpch-2016-0833

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
http://dx.doi.org/10.1039/C7CP01437F

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
http://dx.doi.org/10.1063/1.4974150

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
http://dx.doi.org/10.1002/chem.201605027

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
http://dx.doi.org/10.1002/anie.201702889

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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
http://dx.doi.org/10.1002/jcc.24376

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
http://dx.doi.org/10.1002/qua.25147

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
http://dx.doi.org/10.1063/1.4950880

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
http://dx.doi.org/10.1002/anie.201604198

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
http://dx.doi.org/10.1021/acs.jpca.5b10743

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
http://dx.doi.org/10.1002/anie.201601356

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
http://dx.doi.org/10.1039/C6QO00421K

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
http://dx.doi.org/10.1002/anie.201601433

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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
http://dx.doi.org/10.1039/c5cp02964c

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
http://dx.doi.org/10.1021/jacs.5b04868

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
http://dx.doi.org/10.1002/anie.201507039

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