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
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Petrie, Simon; Stranger, Robert
Description
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 |
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Date published: | 2002 |
Type: | Journal article |
URI: | http://hdl.handle.net/1885/85745 |
Source: | Inorganic Chemistry |
DOI: | 10.1021/ic0109703 |
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