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Bonding analysis in ytterbium(II) distannyl and related tetryls

Abstract : The syntheses of the ytterbium(II) distannyl [Yb{Sn(SiMe(3))(3)}(2)·(thf)(4)] (Yb-Sn) and of its digermyl analogue [Yb{Ge(SiMe(3))(3)}(2)·(thf)(3)] (Yb-Ge) are presented. The compounds were characterised by multinuclear high-resolution solution NMR spectroscopy, including (171)Yb NMR, and by X-ray diffraction crystallography. The bonding and electronic properties of the two complexes, along with those of the known ytterbium(II) disilyl derivative [Yb{Si(SiMe(3))(3)}(2)·(thf)(3)] (Yb-Si) and those of the congeneric calcium distannyl [Ca{Sn(SiMe(3))(3)}(2)·(thf)(4)] (Ca-Sn), were investigated in detail by DFT calculations. This analysis points at a primarily ionic Yb-tetrel bonding, with a small covalent contribution, attributed principally to the 5d(Yb) participation. This weak covalent character is found to be larger for the distannyl Yb-Sn than for its lighter Si- and Ge-derivatives. The covalent component is also found to be greater in Yb-Sn than in Ca-Sn, due to the availability of the 5d(Yb) orbitals for bonding.
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https://hal.archives-ouvertes.fr/hal-03369223
Contributor : Laurent Jonchère Connect in order to contact the contributor
Submitted on : Tuesday, October 12, 2021 - 1:08:16 PM
Last modification on : Wednesday, December 1, 2021 - 2:42:25 PM

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Peter M Chapple, Julien Cartron, Ghanem Hamdoun, Marie Cordier, Samia Kahlal, et al.. Bonding analysis in ytterbium(II) distannyl and related tetryls. Dalton Transactions, Royal Society of Chemistry, 2021, ⟨10.1039/d1dt02355a⟩. ⟨hal-03369223⟩

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