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

摘要

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 delta(U-Ar) bonds and further corroborated by computed U-III/II reduction potentials.