Unexpected Charge Effects Strengthen π–Stacking Pancake Bonding
Zhong‐hua Cui, Menghui Wang, Hans Lischka, Miklós Kertész
Abstract
become strongly bound. Long-range interactions reflect these differences. Also surprising is that in this case the pancake bonding corresponds to single-electron (1e/mc) or a three-electron (3e/mc) multicenter bonding in contrast to the 2e/mc bonding that occurs for the neutral radical dimers. The strong preference for a large intermolecular overlap is maintained in these charged dimers. Importantly, the preference for π-bonding in the charged dimers compared to σ-bonding is strongly enhanced relative to the neutral PLY dimers.
Topics & Concepts
DimerStackingIntermolecular forceSynthonChemistryCrystallographyMoleculeElectronStereochemistryOrganic chemistryPhysicsQuantum mechanicsSynthesis and Properties of Aromatic CompoundsAdvanced Chemical Physics StudiesFullerene Chemistry and Applications