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Abstract In this work, we design four multi-copper-mediated ring-expanded base pairs, which possess improved electromagnetic properties due to the introduction of cyclopentadienyl radicals and copper ions. These designed base pairs… Click to show full abstract
Abstract In this work, we design four multi-copper-mediated ring-expanded base pairs, which possess improved electromagnetic properties due to the introduction of cyclopentadienyl radicals and copper ions. These designed base pairs have smaller HOMO-LUMO gaps and lower ionization potentials than those of the corresponding natural base pairs. Trans-rG3CurC and rA2CurT possess open-shell singlet ground states. They exhibit variable degrees of magnetic exchange interaction. In addition, their transverse electronic communication by the charge-transfer transitions in the UV absorption spectra is enhanced significantly.
Journal Title: Chemical Physics Letters
Year Published: 2019
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