The Balance between Hydrogen Bonds, Halogen Bonds, and Chalcogen Bonds in the Crystal Structures of a Series of 1,3,4-Chalcogenadiazoles

The Balance between Hydrogen Bonds, Halogen Bonds, and Chalcogen Bonds in the Crystal Structures of a Series of 1,3,4-Chalcogenadiazoles

In order to explore how specific atom-to-atom replacements change the electrostatic potentials on 1,3,4-chalcogenadiazole derivatives, and to deliberately alter the balance between intermolecular interactions, four target molecules were synthesized and characterized. DFT calculations indicated that...

Full description

Bibliographic Details
Main Authors: Viraj De Silva, Boris B. Averkiev, Abhijeet S. Sinha, Christer B. Aakeröy
Format: Article
Language:English
Published: MDPI AG 2021-07-01
Series:Molecules
Subjects:
chalcogen bond
halogen bond
hydrogen bond
intermolecular interactions
polymorphism
σ-hole
Online Access:https://www.mdpi.com/1420-3049/26/14/4125

Internet

https://www.mdpi.com/1420-3049/26/14/4125

Similar Items