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Updated: Jun 28, 2025

Combining Solid-state and Solution-based Techniques: Synthesis and Reactivity of ChalcogenidoplumbatesII or IV
Published on: December 29, 2016
Elucidating the Binding Mode of Sulfur- and Selenium-Based Cationic Chalcogen-Bond Donors
Sercan Akbaba1, Tim Steinke1, Lukas Vogel1
1Department of Chemistry and Biochemistry, Ruhr-University Bochum, Universitätsstraße 150, 44801, Bochum, Germany.
Abstract:
For a comparison of the interaction modes of various chalcogen-bond donors, 2-chalcogeno-imidazolium salts have been designed, synthesized, and studied by single crystal X-ray diffraction, solution NMR and DFT as well as for their ability to act as activators in an SN1-type substitution reaction. Their interaction modes in solution were elucidated based on NMR diffusion and chemical shift perturbation experiments, which were supported by DFT-calculations. Our finding is that going from lighter to the heavier chalcogens, hydrogen bonding plays a less, while chalcogen bonding an increasingly important role for the coordination of anions. Anion-π interactions also show importance, especially for the sulfur and selenium derivatives.
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