Pd-NHC catalysed regioselective activation of B(3,6)–H of o-carborane – a synergy between experiment and theory Journal Articles uri icon

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abstract

  • This work presents DFT characterisation studies of multiple competitive pathways leading to the regioselective B(3,6)-diarylation of o-carboranes catalysed by Pd-NHC and achieves excellent agreement between experimental and computational results.

authors

  • Yu, Jia-Wei
  • Zhang, Cai-Yan
  • Chass, Gregory
  • Zhang, Jing-Xuan
  • Mu, Wei-Hua
  • Cao, Ke

publication date

  • August 1, 2023