Magnetic Coupling and Intermetallic Electron Transfer in the Heterodinuclear Bioctahedral Complexes MW III Cl 9 n- (M = V II , Cr III , Mn IV ): Tweaking the Balance between Ferromagnetism and Antiferromagnetism
Density functional theory (DFT) calculations have been used to investigate the effect of intermetallic electron transfer on the mode of magnetic coupling in the face-shared bimetallic complexes MWCI9n- (M = V, Cr, Mn; all with a nominal d3 valence electronic configuration on each metal atom). These calculations illustrate a simple rule: when the oxidation state of M is lower than that of W, antiferromagnetic coupling is preferred, while ferromagnetism (via crossed exchange pathways) is favored...[Show more]
|Collections||ANU Research Publications|
|01_Petrie_Magnetic_Coupling_and_2002.pdf||80.28 kB||Adobe PDF||Request a copy|
|02_Petrie_Magnetic_Coupling_and_2002.pdf||79.06 kB||Adobe PDF||Request a copy|
Items in Open Research are protected by copyright, with all rights reserved, unless otherwise indicated.