| Literature DB >> 32016193 |
Peter H M Budzelaar1, David L Hughes, Manfred Bochmann, Alceo Macchioni, Luca Rocchigiani.
Abstract
Zirconaziridinium ions [Cp2Zr(η2-CH2NR2)]+ can potentially activate H2 by two routes: σ-bond metathesis or FLP reactivity. We show here that Zr-C hydrogenolysis by σ-bond metathesis precedes and enables subsequent heterolytic H2 cleavage through FLP pathways. DFT calculations show the involvement of transition states with approximately linear NHH and bent ZrHH arrangements without any direct Zr-amine interaction.Entities:
Year: 2020 PMID： 32016193 DOI： 10.1039/c9cc09466k
Source DB: PubMed Journal: Chem Commun (Camb) ISSN： 1359-7345 Impact factor: 6.222