Theoretical Exploration of Isomerization Pathways in H<sub>2</sub>SO<sub>4</sub>·HX (X = OH, Cl, Br) Complexes

Theoretical Exploration of Isomerization Pathways in H<sub>2</sub>SO<sub>4</sub>·HX (X = OH, Cl, Br) Complexes

Complexes formed by sulfuric acid (H<sub>2</sub>SO<sub>4</sub>) with HX (X = OH, Cl, Br) are critical in various chemical processes. In this work, we theoretically investigated the isomerization pathways of these complexes, analyzing their structures, energies, and reaction m...

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Bibliographic Details
Main Authors: Qi Zhang, Kaisheng Song, Jun Li
Format: Article
Language:English
Published: MDPI AG 2025-07-01
Series:Applied Sciences
Subjects:
sulfuric acid
hydrogen bonding
isomerization pathways
binary complex
transition states
Online Access:https://www.mdpi.com/2076-3417/15/14/7642
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