Mechanism of Alkaline Earth Metal Amide Catalyzed Hydrogenation of Challenging Alkenes and Arenes

• Published in: ChemSusChem Vol. 17; no. 22; pp. e202400754 - n/a
• Main Authors: Qu, Zheng‐Wang, Zhu, Hui, Grimme, Stefan
• Format: Journal Article
• Language: English
• Published: Germany Wiley Subscription Services, Inc 25.11.2024
• Subjects: Alkaline earth metals; alkene; Alkenes; arene; Aromatic compounds; Calcium; DFT calculations; homogenous catalysis; Hydrogenation; Hydrogenolysis; metal hydride complex; Monomers; homogenous catalysis; metal hydride complex; hydrogenation; alkene; DFT calculations; arene

Recently, bulky alkaline earth (Ae=Mg, Ca, Sr, Ba) metal amide complexes AeN“2 (N”=N[Si(iPr)3]2) are shown to be active for catalyzing the hydrogenation of unactivated alkenes and arenes, presumably via the monomer N“AeH as catalyst. In sharp contrast, our extensive DFT calculations disclose that th...