Backbone-controlled LUMO energy induces intramolecular C–H activation in<i>ortho</i>-bis-9-borafluorene-substituted phenyl and<i>o</i>-carboranyl compounds leading to novel 9,10-diboraanthracene derivatives
Johannes Krebs, Alena Häfner, Sonja Fuchs, Xueying Guo, Florian Rauch, Antonius Eichhorn, Ivo Krummenacher, Alexandra Friedrich, Lei Ji, Maik Finze, Zhenyang Lin, Holger Braunschweig, Todd B. Marder
Abstract
]fluoroanthene isomers, a form of diboron polycyclic aromatic hydrocarbon (PAH) that had yet to be explored. The isolated compounds 2b, 3a, and 3b were fully characterized by NMR, HRMS, cyclic voltammetry (CV), single-crystal X-ray diffraction analysis, and photophysical measurements, supported by DFT and TD-DFT calculations.
Topics & Concepts
Intramolecular forceHOMO/LUMOChemistryMedicinal chemistryStereochemistryOrganic chemistryMoleculeBoron Compounds in ChemistryOrganoboron and organosilicon chemistryCrystallography and molecular interactions