Abnormalities of the Halogen Bonds in the Complexes between Y<sub>2</sub>CTe (Y = H, F, CH<sub>3</sub>) and XF (X = F, Cl, Br, I)

Abnormalities of the Halogen Bonds in the Complexes between Y<sub>2</sub>CTe (Y = H, F, CH<sub>3</sub>) and XF (X = F, Cl, Br, I)

In this work, the hydrogen bonds and halogen bonds in the complexes between Y<sub>2</sub>CTe (Y = H, F, CH<sub>3</sub>) and XF (X = F, Cl, Br, I) have been studied by quantum chemical calculations. We found three interesting abnormalities regarding the interactions. Firstly,...

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Bibliographic Details
Main Authors: Ya-Qian Wang, Rui-Jing Wang, Qing-Zhong Li, Zhi-Wu Yu
Format: Article
Language:English
Published: MDPI AG 2022-12-01
Series:Molecules
Subjects:
halogen bond
hydrogen bond
abnormality
competition
AIM
NBO
Online Access:https://www.mdpi.com/1420-3049/27/23/8523

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