Change of magnetic properties of benzenes in multiple-decked sandwich clusters: Mn_n(C₆H_6)n+1 (n = 1, 2)

Local magnetic moments in benzenes of a multiple-decked sandwich cluster, namely, Mn_n(C₆H_6)n+1 (n = 1, 2) are investigated using density functional theory. A significant increase in the magnetic moments of benzenes was found in the 2p_z orbitals. From the values of the local magnetic moments of Mn(C₆H₆₎₂ and Mn₂(C₆H₆₎₃, we find that the local magnetic moment of benzene in the centre of the chain is larger than that at the edge position. These results indicate a promising possibility of changing the magnetic properties of benzenes using a magnetic material.