Issue 42, 2019

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

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

Supplementary files

Article information

Article type
Paper
Submitted
22 Jūl. 2019
Accepted
27 Sept. 2019
First published
02 Okt. 2019

Dalton Trans., 2019,48, 15888-15895

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, 48, 15888 DOI: 10.1039/C9DT03008E

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