H2 activation by zirconaziridinium ions: σ-bond metathesis versus Frustrated Lewis pairs reactivity

Budzelaar, Peter, Hughes, David, Bochmann, Manfred, Macchioni, Alceo and Rocchigiani, Luca (2020) H2 activation by zirconaziridinium ions: σ-bond metathesis versus Frustrated Lewis pairs reactivity. Chemical Communications, 56 (17). pp. 2542-2545. ISSN 1359-7345

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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 by FLP pathways. DFT calculations show the involvement of transition states with approximately linear N···H···H and bent Zr···H···H arrangements without any direct Zr-amine interaction.

Item Type: Article
Uncontrolled Keywords: chemistry,complexes,dihydrogen,hydrogenation,insertion,metal,self-aggregation tendency,zirconocene hydrides
Faculty \ School: Faculty of Science > School of Chemistry
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Depositing User: LivePure Connector
Date Deposited: 21 Jan 2020 10:48
Last Modified: 12 Jul 2020 23:55
URI: https://ueaeprints.uea.ac.uk/id/eprint/73708
DOI: 10.1039/C9CC09466K

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