Change of magnetic properties of benzenes in multiple-decked sandwich clusters: Mnn(C6H6)n+1 (n = 1, 2)

• Main Authors: Muhida, R., Rahman, M. M., Tsuda, M., Roman, T. A., Diño, Wilson Agerico, Nakanishi, Hiroshi, Kasai, Hideaki
• Format: text
• Published: Animo Repository 2004
• Subjects: Ferromagnetic materials; Organometallic compounds; Paramagnetic resonance; Physics
• Online Access: https://animorepository.dlsu.edu.ph/faculty_research/3805; https://animorepository.dlsu.edu.ph/context/faculty_research/article/4807/type/native/viewcontent/041.html
• Institution: De La Salle University

Local magnetic moments in benzenes of a multiple-decked sandwich cluster, namely, Mnn(C6H6)n+1 (n = 1, 2) are investigated using density functional theory. A significant increase in the magnetic moments of benzenes was found in the 2pz 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.