D3hX3Li3+ (X = C, Si and Ge): Superalkali cations containing three planar tetracoordinate X atoms

Jin-Chang Guo,Hui-Xia Wu,Guang-Ming Ren,Chang-Qing Miao,Yong-Xia Li

Computational and Theoretical Chemistry（2016）

引用 22|浏览6

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摘要

•The global minima of X3Li3+ (X=C, Si, Ge) contain three planar tetracoordinate X atoms.•D3h X3Li3+ (X=C, Si, Ge) are superalkali cations with low VEAs 2.88–3.02eV.•D3h X3Li3+ (X=C, Si, Ge) cations are π aromatic.

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关键词

Superalkali cations,Planar tetracoordinate carbon,Global minimum,Aromaticity,AdNDP

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