DOI: 10.1002/anie.202309466 ISSN:

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
  • General Chemistry
  • Catalysis

Abstract

LGa(P2OC)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(P2OC)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 KC8 and dibenzo‐18‐crown‐6. 3 reacted with [Fc][B(C6F5)4] (Fc=ferrocenium) to 2 and with TEMPO to [L−HGa(P2OC)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, 3K(DB‐18‐c‐6], and 4[K(DB‐18‐c‐6] were determined by single crystal X‐ray diffraction (sc‐XRD).

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