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Article Dans Une Revue Inorganic Chemistry Frontiers Année : 2020

α-C-C Agostic interactions and C-H bond activation in scandium cyclopropyl complexes

Résumé

This paper addresses the problem of the observation of so-called CC agostic interactions in cyclopropyl complexes of scandium. Three new cyclopropyl complexes of scandium based on β-diketiminato ligand were synthesized including by an intramolecular C-H bond activation reaction in one case. X-ray diffraction analysis revealed distorted cyclopropyl groups in the complexes, and the distortion could be observed in solution as well for one of the complexes thanks to the natural abundance INADEQUATE NMR spectroscopy which showed the markedly reduced JC-C coupling constant. This signature of the CC agostic interaction was further examined using DFT modelling which, together with NBO calculations, indicated that C-H and CC agostic interactions are not exclusive but can complement each other accounting for the distortions. The intramolecular C-H bond activation in scandium biscyclopropyl complex was investigated by isotopic labeling experiments, which indicated a direct proton abstraction of the isopropyl group in β-diketiminato ligand by cyclopropyl group.
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Dates et versions

hal-03128995 , version 1 (02-02-2021)

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  • HAL Id : hal-03128995 , version 1

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Cheng Xu, Guangyu Li, Michel Etienne, Xuebing Leng, Yaofeng Chen. α-C-C Agostic interactions and C-H bond activation in scandium cyclopropyl complexes. Inorganic Chemistry Frontiers, 2020, 7, pp.4822-4831. ⟨hal-03128995⟩
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