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Updated: May 6, 2026

From Molecules to Materials: Engineering New Ionic Liquid Crystals Through Halogen Bonding
Published on: March 24, 2018
Is π halogen bonding or lone pair···π interaction formed between borazine and some halogenated compounds?
Hongying Zhuo1, Qingzhong Li, Wenzuo Li
1The Laboratory of Theoretical and Computational Chemistry, School of Chemistry and Chemical Engineering, Yantai University, Yantai 264005, People's Republic of China. liqingzhong1990@sina.com.
Abstract:
Borazine, "inorganic benzene", exhibits some different properties from benzene although both of them are isostructural and isoelectronic. It was known that benzene is favorable to form halogen bonds with halogenated molecules. However, borazine more easily forms lone pair-π interactions with halogenated molecules, but for stronger halogen donors it can also form halogen bonds. The halogen bonds formed by borazine are stronger than the corresponding lone pair-π interactions. It was found that the pair-π interactions can be changed into halogen bonds with the increase of interaction strength. The dispersion energy plays a main role in stabilizing the weakly bonded complexes, while the electrostatic energy is dominant in the strongly bonded complexes. This is different from the nature of the respective benzene complexes.
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