Prediction and characterization of halogen bonds involving formamidine and its derivatives.

Xiulin An,Lixia Jiang,Qingzhong Li,Wenzuo Li,Jianbo Cheng

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy（2015）

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摘要

•Formamidine (FA) is a good electron donor in halogen bonding.•The FA-(E) complex is more stable than the FA-(Z) counterpart.•The strong halogen bond has a nature of partially covalent interaction.•The strength of halogen bond can be regulated by substituents.

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关键词

Formamidine,Halogen bond,Substituent,Energy decomposition

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