Probing chemical bonding and optoelectronic properties of Square-Planar Aluminum, Gallium, and Nickel complexes

Zhen-Zhen Chen,Wen-Yong Wang,Chang-Li Zhu,Li Wang,Xin-Yan Fang,Yong-Qing Qiu

Computational and Theoretical Chemistry（2016）

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摘要

•The structures of complexes 1–3 are Square-planar.•The bond interaction between metal and ligands is a mixture of electronic and covalent.•The absorption spectrum of complexes 1–3 shows a red-shift trend from complexes 1, 2 to 3.

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关键词

Bonding interaction,Density functional theory,Square-planar complexes,Absorption spectrum

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