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A Stable N-Heterocyclic Silylene with a 1,1'-Ferrocenediyl Backbone.

Nadine WeyerMyron HeinzJulia I SchweizerClemens BruhnMax C HolthausenUlrich Siemeling
Published in: Angewandte Chemie (International ed. in English) (2020)
The N-heterocyclic silylene [{Fe(η5 -C5 H4 -NDipp)2 }Si] (1DippSi, Dipp=2,6-diisopropylphenyl) shows an excellent combination of pronounced thermal stability and high reactivity towards small molecules. It reacts readily with CO2 and N2 O, respectively affording (1DippSiO2 )2 C and (1DippSiO)2 as follow-up products of the silanone 1DippSiO. Its reactions with H2 O, NH3 , and FcPH2 (Fc=ferrocenyl) furnish the respective oxidative addition products 1DippSi(H)X (X=OH, NH2 , PHFc). Its reaction with H3 BNH3 unexpectedly results in B-H, instead of N-H, bond activation, affording 1DippSi(H)(BH2 NH3 ). DFT results suggest that dramatically different mechanisms are operative for these H-X insertions.
Keyphrases
  • room temperature
  • perovskite solar cells
  • ionic liquid
  • density functional theory
  • molecular docking