Synthesis and Structure of an o-Carboranyl-Substituted Three-Coordinate Borane Radical Anion |
| |
| Authors: | Johannes Krebs Martin Haehnel Dr Ivo Krummenacher Dr Alexandra Friedrich Prof Dr Holger Braunschweig Prof Dr Maik Finze Prof Dr Lei Ji Prof Dr Todd B Marder |
| |
| Institution: | 1. Institute for Inorganic Chemistry, Institute for Sustainable Chemistry & Catalysis with Boron, Julius-Maximilians-Universität Würzburg, Am Hubland, 97074 Würzburg, Germany;2. Frontiers Science Center for Flexible Electronics (FSCFE), Shaanxi Institute of Flexible Electronics (SIFE), Northwestern Polytechnical University, 127 West Youyi Road, 710072 Xi'an, P. R. China |
| |
| Abstract: | Bis(1-(4-tolyl)-carboran-2-yl)-(4-tolyl)-borane (1-(4-MeC6H4)-closo-1,2-C2B10H10-2-)2(4-MeC6H4)B] ( 1 ), a new bis(o-carboranyl)-(R)-borane was synthesised by lithiation of the o-carboranyl precursor and subsequent salt metathesis reaction with (4-tolyl)BBr2. Cyclic voltammetry experiments on 1 show multiple distinct reduction events with a one-electron first reduction. In a selective reduction experiment the corresponding paramagnetic radical anion 1.− was isolated and characterized. Single-crystal structure analyses allow an in-depth comparison of 1 , 1.− , their calculated geometries, and the S1 excited state of 1 . Photophysical studies of 1 show a charge transfer (CT) emission with low quantum yield in solution but a strong increase in the solid state. TD-DFT calculations were used to identify transition-relevant orbitals. |
| |
| Keywords: | carborane charge transfer radical three-coordinate boron Wade's rules |
|
|
