What question did this study set out to answer?

This study aims to analyze the competitive binding effects of solvents on halogen and chalcogen bonding interactions.

May 10, 2026Physical Chemistry Chemical Physics0 citationsOpen Access

Evaluation of the Solvent Competitive Binding in Halogen and Chalcogen Bonding: A Theoretical Theory Study for Supramolecular Applications

EMEric MiguensUniversitat de les Illes Balears MRMariana RochaNational University of Tucumán AFAntonio FronteraUniversitat de les Illes Balears

Key Points

This study aims to analyze the competitive binding effects of solvents on halogen and chalcogen bonding interactions.
Theoretical models were applied to simulate solvent interactions.
Analysis focused on the strength and directionality of bonding.
Different solvents were evaluated to determine their impact on binding.
Halogen bonding exhibited greater directional strength compared to chalcogen bonding.
Solvent presence significantly altered interaction strength, with specific solvents enhancing binding efficiency.
Findings suggest potential for optimized applications in supramolecular chemistry.

Abstract

Noncovalent interactions such as halogen bonding (HaB) and chalcogen bonding (ChB) are increasingly utilized in host-guest chemistry and supramolecular catalysis due to their high directionality and tunable strength. However, the...

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