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Kahn-Briat model

Keywords Superexchange Magnetic orbital Anderson model Hay-Thibeault-Hoffmann model Kahn-Briat model... [Pg.208]

The second valence-only model starts from a molecular orbital viewpoint and was derived in the mid 1970s by Hay, Thibeault and Hoffmann (HTH) [2], approximately at the same time as the Kahn-Briat model. The magnetic orbitals are defined as linear combinations of orthogonal atomic-like orbitals... [Pg.108]

Similar to (pa and cpb of the Kahn-Briat model, the atomic-like orbitals of the HTH model have the largest amplitudes on the magnetic centers, but in contrast fa and fb show delocalization tails on the ligands to ensure the orthogonality between them. Therefore, in general fa and fb are slightly more delocalized than the nonorthogonal (pa and (pb. [Pg.108]

Based on valence bond reasoning with nonorthogonal atomic-like orbitals, Kahn and Briat derived an elegant model that is capable of explaining and predicting magnetic behavior of transition metal complexes based on the shape of the localized magnetic... [Pg.105]

See other pages where Kahn-Briat model is mentioned: [Pg.66]    [Pg.105]    [Pg.107]    [Pg.116]    [Pg.116]    [Pg.117]    [Pg.66]    [Pg.105]    [Pg.107]    [Pg.116]    [Pg.116]    [Pg.117]    [Pg.207]    [Pg.244]    [Pg.105]    [Pg.144]    [Pg.208]    [Pg.244]    [Pg.244]    [Pg.247]    [Pg.58]    [Pg.109]   
See also in sourсe #XX -- [ Pg.208 , Pg.244 ]



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