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Issue 16, 2014
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Linear triatomic [ZnBi2]4− in K4ZnBi2

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Abstract

The linear triatomic [ZnBi2]4− found in the diamagnetic K4ZnBi2 was prepared as the first discrete Zn–Bi Zintl cluster anion in the neat solid state from the unique K–Zn–Bi system. The tetraanionic trimer has sixteen valence electrons isovalent with CO2, accounting for its nearly linear triatomic structure (Zn–Bi–Zn, 177.3(3)°) and multiple Zn[double bond, length as m-dash]Bi bonds revealed by the unprecedentedly short bond length (2.553(3) Å) and DFT π-bonding analyses, on the basis of the established 16-electron counting rule for a linear triatomic species. The VASP theoretical calculations reveal that K4ZnBi2 is a narrow gap direct semiconductor that is expected to present promising optical properties.

Graphical abstract: Linear triatomic [ZnBi2]4− in K4ZnBi2

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Publication details

The article was received on 05 Dec 2013, accepted on 05 Jan 2014 and first published on 09 Jan 2014


Article type: Communication
DOI: 10.1039/C3DT53419G
Citation: Dalton Trans., 2014,43, 5990-5993
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    Linear triatomic [ZnBi2]4− in K4ZnBi2

    Q. Qin, L. Zhou, Y. Wang, R. Sang and L. Xu, Dalton Trans., 2014, 43, 5990
    DOI: 10.1039/C3DT53419G

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