Unusual chalcogen⋯chalcogen interactions in like⋯like and unlike YCY⋯YCY complexes (Y = O, S, and Se)
Mahmoud A. A. Ibrahim, Mohammed N. I. Shehata, Mahmoud E. S. Soliman, Mahmoud Moustafa, H. R. Abd El-Mageed, Nayra A. M. Moussa
Abstract
chalcogen⋯chalcogen interactions, with no clues as to any secondary ones. SAPT-EDA outlined the domination of the explored interactions by the dispersion forces and indicated the pivotal shares of the electrostatic forces, except type III σ-hole⋯σ-hole and di-σ-hole interactions. These observations demonstrate in better detail all the types of chalcogen⋯chalcogen interactions, providing persuasive reasons for their more intensive use in versatile fields related to materials science and drug design.
Topics & Concepts
ChalcogenChemistryInteraction energyMoleculeNon-covalent interactionsAtoms in moleculesComputational chemistryCrystallographyChemical physicsNanotechnologyHydrogen bondMaterials scienceOrganic chemistryCrystallography and molecular interactionsOrganic and Molecular Conductors ResearchInorganic Fluorides and Related Compounds