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Structural isomerism in the [(Ni@Sn9)In(Ni@Sn9)]5− Zintl ion

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Abstract

A new Zintl cluster, [(Ni@Sn9)In(Ni@Sn9)]5−, has been isolated in two distinct isomeric forms, one where both Ni@Sn9 units are coordinated to the bridging In atom in an η3- mode, the other where one is η3- and the other η4-. Density functional theory indicates that the energetic separation between these two structures is minimal, suggesting that crystal packing plays a decisive role in the structural chemistry. A comparison of the electronic structure of [(Ni@Sn9)In(Ni@Sn9)]5− with [(Ni@Ge9)Ni(Ni@Ge9)]4−, which has four fewer valence electrons, sheds some light on possible mechanisms that lead to the fusion of cluster fragments.

Graphical abstract: Structural isomerism in the [(Ni@Sn9)In(Ni@Sn9)]5− Zintl ion

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Publication details

The article was received on 22 Jul 2019, accepted on 27 Sep 2019 and first published on 02 Oct 2019


Article type: Paper
DOI: 10.1039/C9DT03008E
Dalton Trans., 2019, Advance Article

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    Structural isomerism in the [(Ni@Sn9)In(Ni@Sn9)]5− Zintl ion

    C. Zhang, H. W. T. Morgan, Z. Wang, C. Liu, Z. Sun and J. E. McGrady, Dalton Trans., 2019, Advance Article , DOI: 10.1039/C9DT03008E

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