Quantitative evaluation of the electronic features involving “nucleophilic–electrophilic” character in the chalcogen sulfur??

Physical Chemistry Chemical Physics Pub Date: 2023-06-30 DOI: 10.1039/D3CP02526H

Abstract

This study investigates the crystal structures of substituted thiophenes and isothiocyanates by utilizing the method of in situ cryo-crystallization to gain quantitative insights into the electronic features of sulfur-centered interactions. This work reveals that the role of sulfur as a “nucleophilic” or “electrophilic” species during non-covalent interaction is significantly influenced by its immediate chemical and electronic surroundings.

Graphical abstract: Quantitative evaluation of the electronic features involving “nucleophilic–electrophilic” character in the chalcogen sulfur
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