Novel diazaphospholidine terminated polyhedral oligomeric silsesquioxanes in styrene and vinyl acetate hydroformylation: Synthesis and molecular dynamics studies

Nicolas R. Vautravers, Pascal Andre, David John Cole-Hamilton

Research output: Contribution to journalArticlepeer-review

12 Citations (Scopus)

Abstract

New diazaphospholidine POSS macromolecules have been synthesised and tested in styrene and vinyl acetate hydroformylation. Whilst some of them have shown activity, others precipitated upon mixing with the rhodium precursor preventing its efficient use. Molecular dynamics has been used to help understand these observations. Rigid and compact dendritic structures with phosphine groups engineered to have low mobility but high probability of sitting at distances favouring bidentate coordination with the rhodium precursors are necessary for the macromolecular ligands to be active. More flexible structures having lower probability of phosphine separations suitable for bidentate complex formation are more prone to form oligomeric dendritic species and hence to crosslink the macromolecules and precipitate.

Original languageEnglish
Pages (from-to)3413-3424
Number of pages12
JournalDalton Transactions
Issue number18
DOIs
Publication statusPublished - 14 May 2009

Keywords

  • POLY(PROPYLENE IMINE) DENDRIMERS
  • ASYMMETRIC HYDROFORMYLATION
  • LIGANDS
  • RHODIUM
  • PHOSPHINE

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