Diagnosing Ring Current(s) in Figure-Eight Skeletons: A 3D Through-Space Conjugation in the Two-Loops Crossing

诊断八字形骨架中的环电流:双环交叉处的三维空间共轭

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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.

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