Density functional theory study of the interplay between cation–π and intramolecular hydrogen bonding interactions in complexes involving methyl salicylate with Li+, Na+, K+, Be2+, Mg2+, Ca2+ cations
Mahsa Pirgheibi, Marziyeh Mohammadi, Azadeh Khanmohammadi
Topics & Concepts
ChemistryNatural bond orbitalIntramolecular forceDensity functional theoryHydrogen bondDivalentAtoms in moleculesComputational chemistryMethyl salicylateMoleculeAromaticityMolecular orbitalStereochemistryOrganic chemistryBiologyEcologyCrystallography and molecular interactionsNonlinear Optical Materials ResearchStructural and Chemical Analysis of Organic and Inorganic Compounds