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From weak to strong interactions: structural and electron topology analysis of the continuum from the supramolecular chalcogen bonding to covalent bonds

Daniel K. Miller, Ivan Yu. Chernyshov, Yury V. Torubaev, Sergiy V. Rosokha

2022Physical Chemistry Chemical Physics32 citationsDOI

Abstract

(similar to that found earlier in the halogen-bonded systems) designated normalized interatomic separation as a critical factor determining the nature of these bondings. The uninterrupted continuums of Te⋯I and Se⋯Br bond lengths and BCPs' characteristics signified an intrinsic link between limiting types of bonding involving chalcogen atoms and between covalent and supramolecular bonding in general.

Topics & Concepts

Covalent bondChalcogenSupramolecular chemistryvan der Waals forceChemistryCrystallographyAtoms in moleculesNon-covalent interactionsHalogen bondChemical bondElectron localization functionNetwork covalent bondingComputational chemistryChemical physicsMoleculeElectronHydrogen bondPhysicsCrystal structureQuantum mechanicsOrganic chemistryCrystallography and molecular interactionsChemical Thermodynamics and Molecular StructureFree Radicals and Antioxidants
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