Diagnosing Ring Current(s) in Figure-Eight Skeletons: A 3D Through-Space Conjugation in the Two-Loops Crossing
Katarzyna Wypych, Maria Dimitrova, Dage Sundholm, Miłosz Pawlicki
Abstract
The macrocyclic structures with local conjugation readily undergo a redox-triggered change in the diatropic character, leading to a global current-density pathway of the doubly charged systems. The figure-eight geometry of the neutral dimer does not significantly change upon oxidation according to the spectroscopic and computational data. The oxidation leads to 3D cross-conjugation at the intersection of the two ethylene bridges resulting in a global ring current.
Topics & Concepts
Ring (chemistry)ChemistrySpace (punctuation)Current (fluid)StereochemistryCrystallographyPhysicsComputer scienceOrganic chemistryOperating systemThermodynamicsSynthesis and Properties of Aromatic CompoundsLuminescence and Fluorescent MaterialsSolid-state spectroscopy and crystallography