@article{BelaidiRauchZhangetal.2019,
  author    = {Belaidi, Houmam and Rauch, Florian and Zhang, Zuolun and Latouche, Camille and Boucekkine, Abdou and Marder, Todd B. and Halet, Jean-Francois},
  title     = {Insights into the optical properties of triarylboranes with strongly electron-accepting bis(fluoromesityl)boryl groups: when theory meets experiment},
  series = {ChemPhotoChem},
  volume    = {4},
  journal   = {ChemPhotoChem},
  number    = {3},
  doi       = {10.1002/cptc.201900256},
  url       = {http://nbn-resolving.de/urn:nbn:de:bvb:20-opus-205600},
  pages     = {173-180},
  year      = {2019},
  abstract  = {The photophysical properties (absorption, fluorescence and phosphorescence) of a series of triarylboranes of the form 4-D-C\(_6\)H\(_4\)-B(Ar)\(_2\) (D=\(^t\)Bu or NPh\(_2\); Ar=mesityl (Mes) or 2,4,6-tris(trifluoromethylphenyl (Fmes)) were analyzed theoretically using state-of-the-art DFT and TD-DFT methods. Simulated emission spectra and computed decay rate constants are in very good agreement with the experimental data. Unrestricted electronic computations including vibronic contributions explain the unusual optical behavior of 4-\(^t\)Bu-C\(_6\)H\(_4\)-B(Fmes)\(_2\) 2, which shows both fluorescence and phosphorescence at nearly identical energies (at 77 K in a frozen glass). Analysis of the main normal modes responsible for the phosphorescence vibrational fine structure indicates that the bulky tert-butyl group tethered to the phenyl ring is strongly involved. Interestingly, in THF solvent, the computed energies of the singlet and triplet excited states are very similar for compound 2 only, which may explain why 2 shows phosphorescence in contrast to the other members of the series.},
  language  = {en}
}
@unpublished{HermannCidMattocketal.2018,
  author    = {Hermann, Alexander and Cid, Jessica and Mattock, James D. and Dewhurst, Rian D. and Krummenacher, Ivo and Vargas, Alfredo and Ingleson, Michael J. and Braunschweig, Holger},
  title     = {Diboryldiborenes: π-Conjugated B\(_4\) Chains Isoelectronic to the Butadiene Dication},
  series = {Angewandte Chemie, International Edition},
  journal   = {Angewandte Chemie, International Edition},
  doi       = {10.1002/anie.201805394},
  url       = {http://nbn-resolving.de/urn:nbn:de:bvb:20-opus-167977},
  year      = {2018},
  abstract  = {sp\(^2\)-sp\(^3\) diborane species based on bis(catecholato)diboron and N-heterocyclic carbenes (NHCs) are subjected to catechol/bromide exchange selectively at the sp\(^3\) boron atom. The reduction of the resulting 1,1-dibromodiborane adducts led to reductive coupling and isolation of doubly NHC-stabilized 1,2-diboryldiborenes. These compounds are the first examples of molecules exhibiting pelectron delocalization over an all-boron chain.},
  language  = {en}
}