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

Abstract

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 U^III/II reduction potentials.