Syntheses and Structures of 5‐Membered Heterocycles Featuring 1,2‐Diphospha‐1,3‐Butadiene and Its Radical Anion

Author:

Sharma Mahendra K.1ORCID,Weinert Hanns M.1ORCID,Li Bin1ORCID,Wölper Christoph1,Henthorn Justin T.2ORCID,Cutsail George E.2ORCID,Haberhauer Gebhard3ORCID,Schulz Stephan14ORCID

Affiliation:

1. Institute of Inorganic Chemistry University of Duisburg-Essen Universitätsstraße 5–7 45141 Essen Germany

2. Max Planck Institute for Chemical Energy Conversion (MPI-CEC) Stiftstrasse 34–36 45470 Mülheim an der Ruhr Germany

3. Institute of Organic Chemistry University of Duisburg-Essen Universitätsstraße 5–7 45141 Essen Germany

4. Center for Nanointegration Duisburg-Essen (CENIDE) University of Duisburg-Essen Carl-Benz-Straße 199 47057 Duisburg Germany

Abstract

AbstractLGa(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).

Funder

Deutsche Forschungsgemeinschaft

Publisher

Wiley

Subject

General Chemistry,Catalysis

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