Syntheses and Structures of 5-Membered Heterocycles Featuring 1,2-Diphospha-1,3-Butadiene and Its Radical Anion |
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| Authors: | Dr Mahendra K Sharma Dr Hanns M Weinert Dr Bin Li Dr Christoph Wölper Dr Justin T Henthorn Dr George E Cutsail III Prof Dr Gebhard Haberhauer Prof Dr Stephan Schulz |
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| Institution: | 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 |
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| 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 , 3 K(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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| Keywords: | 1 3-Butadienes Gallium Main Group Elements Phosphorus Radical π-Conjugation |
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