Experimental and Computational Study of a Tetraazamacrocycle Bis(aryloxide) Uranyl Complex and of the Analogues {E═U═NR}2+ (E = O and NR)

2021 ◽  
Author(s):  
Leonor Maria ◽  
Nuno A. G. Bandeira ◽  
Joaquim Marçalo ◽  
Isabel C. Santos ◽  
Ana S. D. Ferreira ◽  
...  
Keyword(s):  
Computational Study ◽  
Uranyl Complex

Novel uranyl(vi) complexes incorporating propylene-bridged salen-type N2O2-ligands: a structural and computational approach

2015 ◽  
Vol 44 (2) ◽  
pp. 568-577 ◽  
Author(s):  
Mohammad Azam ◽  
Saud I. Al-Resayes ◽  
Gunasekaran Velmurugan ◽  
Ponnambalam Venuvanalingam ◽  
Jörg Wagler ◽  
...  
Keyword(s):  
Computational Study ◽  
Uranyl Complex ◽  
Computational Approach ◽  
Orbital Character

Synthesis of uranyl complex, [UO2L(CH3OH)] showing distorted pentagonal bipyramidal geometry and derived from a tetradentate dianionic ligand is reported. The computational study of the reported complex shows that its LUMO is featured with uranium f orbital character.

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