Unsymmetrical,Cyclic Diborenes and Thermal Rearrangement to a Borylborylene |
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| Authors: | Dr. Tom E. Stennett James D. Mattock Ivonne Vollert Dr. Alfredo Vargas Prof. Dr. Holger Braunschweig |
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| Affiliation: | 1. Institute for Inorganic Chemistry, Julius-Maximilians-Universit?t Würzburg, Würzburg, Germany;2. Institute for Sustainable Chemistry & Catalysis with Boron, Julius-Maximilians-Universit?t Würzburg, Würzburg, Germany;3. Department of Chemistry, School of Life Sciences, University of Sussex, Brighton, Sussex, UK |
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| Abstract: | Cyclic diboranes(4) based on a chelating monoanionic benzylphosphine linker were prepared through boron–silicon exchange between arylsilanes and B2Br4. Coordination of Lewis bases to the remaining sp2 boron atom yielded unsymmetrical sp3‐sp3 diboranes, which were reduced with KC8 to their corresponding trans‐diborenes. These compounds were studied with a combination of spectroscopic methods, X‐ray diffraction, and DFT calculations. PMe3‐stabilized diborene 6 was found to undergo thermal rearrangement to gem‐diborene 8 . DFT calculations on 8 reveal a polar boron–boron bond, and indicate that the compound is best described as a borylborylene. |
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| Keywords: | boron borylenes DFT calculations multiple bonds rearrangements |
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