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

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

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 t...

Ausführliche Beschreibung

Bibliographische Detailangaben
Hauptverfasser: Zhang, C, Morgan, H, Wang, Z, Liu, C, Sun, Z, McGrady, J
Format: Journal article
Sprache:English
Veröffentlicht: Royal Society of Chemistry 2019
Beschreibung
Zusammenfassung: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.

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