Theoretical predictions of cofacial bis(actinyl) complexes of a stretched Schiff-base calixpyrrole ligand

Abstract

Actinyl and actinyl-transition metal complexation by a polypyrrolic macrocycle with anthracenyl linkers between the N₄-donor compartments was evaluated using relativistic density functional theory which predicts that a highly unusual cofacial bis-actinyl structure complex is stable.