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Frustrated Lewis pair adducts of alkynyl-capped tetrelenes.

Abhishek V MuralidharanBrandon L FrenetteJulius WickeAlvaro A OmañaMichael J FergusonEric Rivard
Published in: Dalton transactions (Cambridge, England : 2003) (2024)
The frustrated Lewis pair (FLP) adducts PB{ECl 2 } (PB = i Pr 2 P(C 6 H 4 )BCy 2 ; Cy = cyclohexyl; E = Si, Ge) were used to access a bis(alkynyl)-functionalized silylene and a germylene; the goal behind preparing these species was to obtain new unsaturated main group polymers [E(CCSiMe 3 ) 2 ] n upon heating. While the silylene adduct PB{Si(CCSiMe 3 ) 2 } was stable up to 150 °C, the heavier element congener PB{Ge(CCSiMe 3 ) 2 } underwent a complicated rearrangement process accompanied by Cy-group migration and Ge(II)-alkyne coordination. Density functional theory computations were performed to understand the mechanistic pathway for the unusual rearrangement of PB{Ge(CCSiMe 3 ) 2 }.
Keyphrases
  • heavy metals
  • density functional theory
  • aqueous solution
  • risk assessment
  • molecular dynamics
  • room temperature
  • mass spectrometry
  • high resolution