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Synthesis of New Donor‐Substituted Biphenyls: Pre‐ligands for Highly Luminescent (C^C^D) Gold(III) Pincer Complexes

Feuerstein, Wolfram 1; Holzer, Christof 2; Gui, Xin 3; Neumeier, Lilly 1; Klopper, Wim ORCID iD icon 4; Breher, Frank 1
1 Institut für Anorganische Chemie (AOC), Karlsruher Institut für Technologie (KIT)
2 Institut für Theoretische Festkörperphysik (TFP), Karlsruher Institut für Technologie (KIT)
3 Karlsruher Institut für Technologie (KIT)
4 Institut für Physikalische Chemie (IPC), Karlsruher Institut für Technologie (KIT)


We herein report on new synthetic strategies for the preparation of pyridine and imidazole substituted 2,2’‐dihalo biphenyls. These structures are pre‐ligands suitable for the preparation of respective stannoles. The latter can successfully be transmetalated to K[AuCl$_{4}$] forming non‐palindromic [(C^C^D)Au$^{III}$] pincer complexes featuring a lateral pyridine (D=N) or N‐heterocyclic carbene (NHC, D=C’) donor. The latter is the first report on a pincer complex with two formally anionic sp$^{2}$ and one carbenic carbon donor. The [(C^C^D)Au$^{III}$] complexes show intense phosphorescence in solution at room temperature. We discuss the developed multistep strategy and touch upon synthetic challenges. The prepared complexes have been fully characterized including X‐ray diffraction analysis. The gold(III) complexes’ photophysical properties have been investigated by absorption and emission spectroscopy as well as quantum chemical calculations on the quasi‐relativistic two‐component TD‐DFT and GW/Bethe–Salpeter level including spin–orbit coupling. Thus, we shed light on the electronic influence of the non‐palindromic pincer ligand and reveal non‐radiative relaxation pathways of the different ligands employed.

Verlagsausgabe §
DOI: 10.5445/IR/1000129886
Veröffentlicht am 19.02.2021
DOI: 10.1002/chem.202003271
Zitationen: 18
Web of Science
Zitationen: 18
Zitationen: 19
Cover der Publikation
Zugehörige Institution(en) am KIT Institut für Anorganische Chemie (AOC)
Institut für Physikalische Chemie (IPC)
Institut für Theoretische Festkörperphysik (TFP)
Publikationstyp Zeitschriftenaufsatz
Publikationsmonat/-jahr 12.2020
Sprache Englisch
Identifikator ISSN: 0947-6539, 1521-3765
KITopen-ID: 1000129886
Erschienen in Chemistry - a European journal
Verlag John Wiley and Sons
Band 26
Heft 71
Seiten 17156–17164
Vorab online veröffentlicht am 09.11.2020
Nachgewiesen in Dimensions
Web of Science
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