Influence of the anion base X (X=F−, Cl−, Br−, NO3− and SO42−) on the formation of Chalcogen bonds in Chalcogenodiazoles C4N4Ch (Ch=S, Se and Te)

Bin Li,Xiaoting Wang,Hui Wang,Qi Song,Yuxiang Ni,Hongyan Wang,Xudong Wang

Journal of Molecular Structure（2022）

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摘要

•Based on CSD search, chalcogen bonds can be composed of C4N4Ch (Ch=S, Se, Te) and anions.•The strongest chalcogen bond was formed betweenSO42− and C4N4Te monomers.•These studied chalcogen bonds are dominated by electrostatic interaction.•Double chalcogen bond was confirmed to exist in these studied complexes.

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关键词

Non-covalent interactions,Chalcogen bond,Molecular structure,Interaction energy,Electronic properties

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