Cooperative effects between π-hole triel and π-hole chalcogen bonds

Jingru Zhang,Wenzuo Li,Jianbo Cheng,Zhenbo Liu,Qingzhong Li

RSC Advances（2018）

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摘要

MP2/aug-cc-pVTZ calculations have been performed on π-hole triel- and chalcogen-bonded complexes involving a heteroaromatic compound. Both interactions exhibit cooperative/diminutive effect, depending on the role of the central heteroaromatic compound.

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