Exploring π–π interactions and electron transport in complexes involving a hexacationic host and PAH guest: a promising avenue for molecular devices
Haobam Kisan Singh, Upasana Nath, Niharika Keot, Manabendra Sarma
Abstract
) curves of the complexes were estimated. The conductance values increased when the guests were embedded inside the host cavity. Notably, the complex G7⊂H has the maximum conductance value. Overall, this study provided the electron transport of the PAH inclusion host-guest complex through π-π interaction and provided a direction for the fabrication of future supramolecular molecular devices.
Topics & Concepts
Supramolecular chemistryChemistryNon-covalent interactionsStackingIntermolecular forceDensity functional theoryChemical physicsvan der Waals forcePeryleneMoleculeInteraction energyComputational chemistryHydrogen bondOrganic chemistryMolecular Junctions and NanostructuresOrganic and Molecular Conductors ResearchSurface Chemistry and Catalysis