Linear triatomic [ZnBi2]4- in K4ZnBi2.
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.
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.
Qian
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Qin
Liujiang
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Zhou
Yi
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Wang
Ruili
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Sang
Li
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Xu