Extending the Chain: Synthetic, Structural, and Reaction Chemistry of a BN Allenylidene Analogue

Authors


  • We thank the OSC for computing time, and the EPSRC for funding and for access to the National Mass Spectrometry facility, Swansea University. J.N. thanks the DFG for funding.

Abstract

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α versus γ: [CpFe(CO)(PCy3)(BNCMes2)]+, synthesized by halide abstraction, represents the first example of a BN allenylidene analogue, and features an unsaturated MBNC π system. Although DFT calculations show significant LUMO amplitude at the γ (carbon) position, primary reactivity towards nucleophiles occurs at the sterically less hindered α (boron) center.

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