A Theoretical Study of the Halogen Bond between Heteronuclear Halogen and Benzene

A Theoretical Study of the Halogen Bond between Heteronuclear Halogen and Benzene

Halogen bonds play an important role in many fields, such as biological systems, drug design and crystal engineering. In this work, the structural characteristics of the halogen bond between heteronuclear halogen XD (ClF, BrCl, IBr, ICl, BrF and IF) and benzene were studied using density functional...

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Bibliographic Details
Main Authors: Jun Luo, Hongjing Dai, Chenglu Zeng, Dawang Wu, Maoqi Cao
Format: Article
Language:English
Published: MDPI AG 2022-11-01
Series:Molecules
Subjects:
halogen bond
benzene
heteronuclear halogen
interaction
Online Access:https://www.mdpi.com/1420-3049/27/22/8078

Internet

https://www.mdpi.com/1420-3049/27/22/8078

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