A Potassium Diboryllithate: Synthesis, Bonding Properties, and the Deprotonation of Benzene

Takuto Ohsato, Yuri Okuno, Shintaro Ishida, Takeaki Iwamoto, Ka Ho Lee, Zhenyang Lin, Makoto Yamashita, Kyoko Nozaki

Research output: Contribution to journalArticlepeer-review

16 Citations (Scopus)

Abstract

A potassium diboryllithate (B2LiK) was synthesized and structurally characterized. DFT calculations, including NPA and AIM analyses of B2LiK, revealed ionic interactions between the two bridging boryl anions and Li+and K+. Upon standing in benzene, B2LiK deprotonated the solvent to form a hydroborane and a phenylborane. On the basis of DFT calculations, a detailed reaction mechanism, involving deprotonation and hydride/phenyl exchange processes, is proposed. An NBO analysis of the transition state for the deprotonation of benzene suggests that the deprotonation should be induced by the coordination of benzene to the K+.

Original languageEnglish
Pages (from-to)11426-11430
Number of pages5
JournalAngewandte Chemie - International Edition
Volume55
Issue number38
DOIs
Publication statusPublished - 2016 Sep 12

Keywords

  • benzene
  • boron
  • computational chemistry
  • structure determination
  • superbases

ASJC Scopus subject areas

  • Catalysis
  • Chemistry(all)

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