Understanding Non-Covalent Interactions in Diphenyldiselenide and Diphenylselenide Cocrystals Using a Combined ⁷⁷Se Magic-Angle Spinning Solid-State NMR and Quantum Chemical Analysis Approach.

ABSTRACT: Chalcogen bonds are σ-hole interactions that arise from the net attractive forces between an electron-deficient chalcogen atom (such as selenium) and a Lewis base. In recent years, chalcogen bonds have become important noncovalent interactions, playing a key role in building supramolecular structures and functional materials. Given their significance, there is a continuous interest in gaining a deeper understanding of chalcogen interactions. In this study, we examined systems involving Se-I interactions, where diphenyldiselenide and diphenylselenide serve as selenium sources, while molecular iodine and 1,4-diiodotetrafluorobenzene act as iodine donors. We explore the intricate interplay between selenium's chemical environment and its role in noncovalent interactions, with a focus on Se···I

SUBMITTER: Nari A 

PROVIDER: S-EPMC12302199 | biostudies-literature | 2025 Jul

REPOSITORIES: biostudies-literature