The roles of heteroatoms and substituents on the molecular packing motif from herringbone to π-stacking: A theoretical study on electronic structures and intermolecular interaction of pentacene derivatives
Panpan Lin, Gui-Ya Qin, Ning-Xi Zhang, Jian‐Xun Fan, Xue-Li Hao, Luyi Zou, Ai‐Min Ren
Topics & Concepts
HeteroatomStackingIntermolecular forcePentaceneDensity functional theoryChemistryCrystallographyChemical physicsNon-covalent interactionsComputational chemistryMoleculeOrganic chemistryHydrogen bondRing (chemistry)Layer (electronics)Thin-film transistorOrganic Electronics and PhotovoltaicsConducting polymers and applicationsSemiconductor materials and interfaces