Could new U(ii) complexes be accessible via tuning hybrid heterocalix[4]arene? A theoretical study of redox and structural properties. Issue 7 (26th January 2018)

• Record Type: Journal Article
• Authors: Zhao, Hong-Bo; Zheng, Ming; Schreckenbach, Georg; Pan, Qing-Jiang
• Is Part Of: Dalton transactions. Volume 47:Issue 7(2018)
• Page Start: 2148
• Page End: 2151
• Publication Date: 2018-01-26
• Subjects: Chemistry, Inorganic -- Periodicals; Chemistry, Physical and theoretical -- Periodicals; Chemistry, Inorganic -- Periodicals; 546.05
• DOI: 10.1039/c7dt04557c
• Languages: English
• ISSNs: 1477-9226

Abstract

Abstract : A relativistic DFT study unravels the possible accessibility of several intriguing divalent uranium complexes by tuning building blocks of hybrid heterocalix[4]arene, which are stabilized by δ (U–Ar) bonds and corroborated by computed U III/II reduction potentials. 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.