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Dalton Trans. 2014 Apr 28;43(16):5990-3. doi: 10.1039/c3dt53419g.

Linear triatomic [ZnBi2]4- in K4ZnBi2.

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1
State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 350002, People's Republic of China. xli@fjirsm.ac.cn.

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.

PMID:
24463568
DOI:
10.1039/c3dt53419g
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