Rationalizing the reactivity of mixed allyl rare-earth borohydride complexes with dft studies

HIGHLIGHTS

• who: Sami Fadlallah and colleagues from the UnivLille, CNRS, Centrale Lille, Centrale Lille, UnivArtois, UMR, UCCS-Unité de Catalyse et , Lille, France have published the article: Rationalizing the Reactivity of Mixed Allyl Rare-Earth Borohydride Complexes with DFT Studies, in the Journal: Catalysts 2020, 10, x FOR PEER REVIEW of /2020/
• what: In this paper, the activity of the nucleophilic ligand, allyl vs. borohydride, in the two first steps (initiation and first propagation) of the ROP of ε-caprolactone mediated by La(BH4 )2 (C3 H5 )(THF)3 is investigated.
• how: In tentatively rationalize . . .
  

   

  

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