Interplay of π-stacking and inter-stacking interactions in two-component crystals of neutral closed-shell aromatic compounds: periodic DFT study
С.М. Меликова, Alexander P. Voronin, Jarosław J. Panek, Nikita E. Frolov, Anastasia V. Shishkina, Alexey A. Rykounov, Peter Yu. Tretyakov, Mikhail V. Vener
Abstract
The interplay of π-stacking and inter-stacking interactions in two-component organic crystals without conventional hydrogen bonds.
Topics & Concepts
StackingComponent (thermodynamics)AromaticityShell (structure)Open shellComputational chemistryChemistryMaterials scienceChemical physicsCrystallographyPhysicsThermodynamicsOrganic chemistryMoleculeComposite materialCrystallography and molecular interactionsNonlinear Optical Materials ResearchSynthesis and Properties of Aromatic Compounds