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Diagnosing Ring Current(s) in Figure-Eight Skeletons: A 3D Through-Space Conjugation in the Two-Loops Crossing
[Image: see text] 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 oxidat...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American Chemical Society
2022
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9348834/ https://www.ncbi.nlm.nih.gov/pubmed/35796415 http://dx.doi.org/10.1021/acs.orglett.2c01625 |
Sumario: | [Image: see text] 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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