Stacking interactions in stabilizing supramolecular assembly of M[9C]<sub>2</sub>M complexes: dynamic stability with remarkable nonlinear optical features
Atazaz Ahsin, Aamna Qamar, Sadegh Kaviani, V. Vetrivelan
Abstract
) and its associated components were also measured. The effect of solvents on hyperpolarizability is also considered. The quantum theory of atoms in molecules (QTAIM) and NCI are employed to investigate the bonding nature and vdW forces in addition to stacking interactions. TD-DFT and vibrational studies are also performed. We aim for this research to pave the way for the innovative strategies in designing supramolecular assemblies tailored for NLO applications.
Topics & Concepts
StackingSupramolecular chemistryNonlinear opticalStability (learning theory)Nonlinear systemCrystallographyChemistryChemical physicsMaterials scienceNanotechnologyPhysicsComputer scienceQuantum mechanicsCrystal structureOrganic chemistryMachine learningCrystallography and molecular interactionsNonlinear Optical Materials ResearchSupramolecular Chemistry and Complexes