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Updated: Dec 29, 2025

Characterizing Lewis Pairs Using Titration Coupled with In Situ Infrared Spectroscopy
Published on: February 20, 2020
H2 activation by zirconaziridinium ions: σ-bond metathesis versus frustrated Lewis pair reactivity
Peter H M Budzelaar1, David L Hughes, Manfred Bochmann
1Department of Chemistry, University of Naples Federico II, Via Cintia, I-80126, Naples, Italy. p.budzelaar@unina.it.
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.
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