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(C6...