Supramolecular self-assembly of a novel 2-aminopyrazinium hydrogen tartrate single crystal through hydrogen bonds: Experimental analyses and theoretical investigations
M. Tamil Elakkiya, Suresh Kumar, M. Sathiyendran, A. Harshavardhini, K. Anitha
Topics & Concepts
ChemistryMolecular orbitalHydrogen bondMonoclinic crystal systemIntramolecular forceNatural bond orbitalDensity functional theoryMulliken population analysisSupramolecular chemistryCrystallographyComputational chemistryMoleculeMolecular orbital diagramMolecular orbital theoryCrystal structureStereochemistryOrganic chemistryCrystallography and molecular interactionsNonlinear Optical Materials ResearchCrystal structures of chemical compounds