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@ARTICLE{Zender:611055,
      author       = {Zender, Elena and Valverde, Danillo and Neubaur, Robert and
                      Karger, Sebastian and Virovets, Alexandr and Bolte, Michael
                      and Lerner, Hans-Wolfram and Olivier, Yoann and Wagner,
                      Matthias},
      title        = {{B}orylation and rearrangement reactions of
                      azasilaanthracenes to afford {B},{N}-doped nanographenes},
      journal      = {Dalton transactions},
      volume       = {53},
      number       = {22},
      issn         = {1477-9226},
      address      = {London},
      publisher    = {Royal Society of Chemistry},
      reportid     = {PUBDB-2024-04817},
      pages        = {9294-9300},
      year         = {2024},
      abstract     = {An air-stable B3,N3-containing dibenzobisanthene (8) was
                      prepared in $29\%$ yield by heating a 1,3,5-tri(aza
                      silaanthryl)benzene (5) with BBr3 (180 °C). Under these
                      conditions, the reaction does not stop after three fold
                      SiMe2/BBr exchange but proceeds further via two
                      rearrangement and two intramolecular C–H borylation steps.
                      Some mechanistic details were unveiled by using smaller
                      model systems and applying lower reaction temperatures.
                      According to X-ray crystallography, compound 8 has a
                      helically distorted scaffold. Due to its multiple resonance
                      structure, it shows a narrow-band blue-green emission (λem
                      = 493 nm; ΦPL = $84\%;$ FWHM = 0.20 eV; THF); samples
                      measured in PMMA gave prompt and delayed fluorescence
                      lifetimes of 10.7 ns and 136 µs, respectively. The optical
                      properties of 8 and of structurally related species were
                      also investigated by quantum-chemical means: most of these
                      compounds exhibit a small energy gap ΔEST between the
                      lowest excited singlet (S1) and triplet (T1) states and a
                      non-negligible spin–orbit coupling (SOC) between S1 and
                      T1/T2, demonstrating their potential as thermally activated
                      delayed fluor escence (TADF) emitters},
      cin          = {DOOR ; HAS-User},
      ddc          = {540},
      cid          = {I:(DE-H253)HAS-User-20120731},
      pnm          = {6G3 - PETRA III (DESY) (POF4-6G3) / FS-Proposal: I-20220822
                      (I-20220822)},
      pid          = {G:(DE-HGF)POF4-6G3 / G:(DE-H253)I-20220822},
      experiment   = {EXP:(DE-H253)P-P24-20150101},
      typ          = {PUB:(DE-HGF)16},
      pubmed       = {pmid:38747255},
      UT           = {WOS:001222864400001},
      doi          = {10.1039/D4DT01166J},
      url          = {https://bib-pubdb1.desy.de/record/611055},
}