Syntheses and Structures of 5‐Membered Heterocycles Featuring 1,2‐Diphospha‐1,3‐Butadiene and Its Radical Anion
Mahendra K. Sharma, Hanns M. Weinert, Bin Li, Christoph Wölper, Justin T. Henthorn, George E. Cutsail, Gebhard Haberhauer, Stephan Schulz
Abstract
Abstract LGa(P 2 OC)cAAC 2 features a 1,2‐diphospha‐1,3‐butadiene unit with a delocalized π‐type HOMO and a π*‐type LUMO according to DFT calculations. [LGa(P 2 OC)cAAC][K(DB‐18‐c‐6)] 3 [K(DB‐18‐c‐6] containing the 1,2‐diphospha‐1,3‐butadiene radical anion 3 ⋅ − was isolated from the reaction of 2 with KC 8 and dibenzo‐18‐crown‐6. 3 reacted with [Fc][B(C 6 F 5 ) 4 ] (Fc=ferrocenium) to 2 and with TEMPO to [L −H Ga(P 2 OC)cAAC][K(DB‐18‐c‐6)] 4 [K(DB‐18‐c‐6] containing the 1,2‐diphospha‐1,3‐butadiene anion 4 − . The solid state structures of 2 , 3 K(DB‐18‐c‐6], and 4 [K(DB‐18‐c‐6] were determined by single crystal X‐ray diffraction (sc‐XRD).