Turning frustration into bond activation: A theoretical mechanistic study on heterolytic hydrogen splitting by frustrated Lewis pairs

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Abstract

(Figure Presented) Just before splitting: A mechanistic model has been proposed for H2 activation by sterically demanding phosphine-borane Lewis pairs. There is theoretical evidence for noncovalent intermolecular association of donor-acceptor molecules to form a flexible but energetically strained complex, which provides preorganized active centers for heterolytic H-H bond cleavage (see picture).

Original languageEnglish
Pages (from-to)2435-2438
Number of pages4
JournalAngewandte Chemie - International Edition
Volume47
Issue number13
DOIs
Publication statusPublished - Mar 14 2008

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Keywords

  • Donor-acceptor systems
  • Hydrogenation
  • Quantum chemistry
  • Reaction mechanisms

ASJC Scopus subject areas

  • Catalysis
  • Chemistry(all)

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