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Tuning the building blocks of pyrrole and arene/pyridine in hybrid heterocalix[4]arene allows for the possible accessibility of several intriguing divalent uranium complexes, which are energetically stabilized by enhanced δ(U–Ar) bonds and further corroborated by computed UIII/II reduction potentials.

Graphical abstract: Could new U(ii) complexes be accessible via tuning hybrid heterocalix[4]arene? A theoretical study of redox and structural properties

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