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

Fingerprint

phosphine
Boranes
Frustration
Hydrogen
Theoretical Models
Chemical activation
Association reactions
Molecules

Keywords

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

ASJC Scopus subject areas

  • Chemistry(all)
  • Catalysis
  • Medicine(all)

Cite this

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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).",
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AU - Hamza, A.

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AU - Soós, T.

AU - Pápai, I.

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KW - Reaction mechanisms

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