Toward a ligand specific of Pb2+ with respect to the Zn2+ and Ca2+ cations: A track from quantum chemistry

► Lead chemistry: a new structural class of complexes is confirmed. ► Beyond the hemi- and holo directed families, bisdirectionality is evidenced. ► The selectivity of the ligand for Pb2+ with respect to Zn2+ and Ca2+ is reported. ► The selectivity of the ligand is rationalized by quantum chemistry interpretative tools.