A novel triruthenium metal string complex with naphthylridylamide ligand: Synthesis, structure, magnetism, and molecular conductance

Abstract A triruthenium metal string, [Ru 3 (npa) 4 (NCS) 2 ][PF 6 ] ( 1 ), supported by naphthylridylamide (npa) ligands was successfully synthesized and is reported in this work. X-ray single crystal analysis shows that compound 1 exhibits a nonlinear [Ru 3 ] 7 + backbone (∠ = 170.26(3)°) with long Ru–Ru bond lengths (2.3554(8) A). The long Ru–Ru distances observed for 1 decrease the Ru–Ru interactions and electric conductance. Magnetic measurements indicate that compound 1 is in a S = 1/2 state. DFT calculations suggest that this unpaired electron occupies the π ⁎ orbital which is stabilized by π-acid NCS − ligands and thus weakening the Ru–Ru π interaction.