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Updated: Aug 3, 2025
Combining Solid-state and Solution-based Techniques: Synthesis and Reactivity of ChalcogenidoplumbatesII or IV
Published on: December 29, 2016
A Structural Approach to the Strength Evaluation of Linear Chalcogen Bonds
Maria Carla Aragoni1, Massimiliano Arca1, Vito Lippolis1
1Dipartimento di Scienze Chimiche e Geologiche, Università degli Studi di Cagliari, Cittadella Universitaria, S.S. 554-Bivio Sestu, 09042 Monserrato, CA, Italy.
Abstract:
The experimental structural features of chalcogen bonding (ChB) interactions in over 34,000 linear fragments R-Ch⋯A (Ch = S, Se, Te; R = C, N, O, S, Se, Te; A = N, O, S, Se, Te, F, Cl, Br, I) were analyzed. The bond distances dR-Ch and the interaction distances dCh⋯A were investigated, and the functions δR-Ch and δCh⋯A were introduced to compare the structural data of R-Ch⋯A fragments involving different Ch atoms. The functions δR-Ch and δCh⋯A were calculated by normalizing the differences between the relevant bond dR-Ch and ChB interaction dCh⋯A distances with respect to the sum of the relevant covalent (r + r) and the van der Waals (vdW) radii (r + r), respectively. A systematic comparison is presented, highlighting the role of the chalcogen involved, the role of the R atoms covalently bonded to the Ch, and the role of the A species playing the role of chalcogen bond acceptor. Based on the results obtained, an innovative approach is proposed for the evaluation and categorization of the ChB strength based on structural data.
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