Theoretical investigation on the ligands constructed from phenanthroline and five-membered N-heterocyclic rings for bonding and separation properties of Am(iii) and Eu(iii)

The ligands, derived from the combination of phenanthroline and various five-membered N-heterocyclic rings, were subject to a comprehensive investigation for their potential in the extraction and separation of actinides and lanthanides. This study employed DFT methods to thoroughly explore the properties of both phenanthroline (Ph) and the diverse five-membered N-heterocyclic rings (R1-R8). Additionally, tridentate ligands R