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

A triruthenium metal string, [Ru3(npa)4(NCS)2][PF6] (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 [Ru3]7 + backbone (∠ = 170.26(3)°) with long Ru–Ru bond lengths (2.3554(8) Å). 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.