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Updated: Aug 3, 2025
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Combining Solid-state and Solution-based Techniques: Synthesis and Reactivity of ChalcogenidoplumbatesII or IV
Published on: December 29, 2016
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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.
Molecules (Basel, Switzerland)
|April 13, 2023
Summary
This study analyzes over 34,000 chalcogen bonding (ChB) interactions, introducing new functions to systematically compare structural data. It proposes an innovative approach for evaluating and categorizing ChB strength based on experimental findings.
Area of Science:
- Chemistry
- Crystallography
- Computational Chemistry
Background:
- Chalcogen bonding (ChB) is a significant non-covalent interaction.
- Understanding ChB strength is crucial for various chemical applications.
- Previous analyses lacked a systematic method for comparing ChB interactions across different elements.
Purpose of the Study:
- To analyze the structural features of over 34,000 linear chalcogen bonding interactions.
- To introduce novel functions for comparing ChB structural data.
- To propose a new method for evaluating and categorizing ChB strength.
Main Methods:
- Analysis of experimental structural data for R-Ch⋯A fragments (Ch = S, Se, Te).
- Introduction and calculation of normalized functions δR-Ch and δCh⋯A.
- Systematic comparison of interaction parameters based on chalcogen, R-group, and acceptor species.
Main Results:
- Detailed analysis of bond and interaction distances in ChB systems.
- Demonstration of the influence of chalcogen type, R-substituent, and acceptor on ChB strength.
- Validation of the proposed normalization functions for comparative analysis.
Conclusions:
- The study provides a robust framework for understanding and quantifying chalcogen bonding.
- The proposed approach enables a more accurate evaluation and categorization of ChB strength.
- This work offers valuable insights for designing molecules with specific non-covalent interactions.
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