Microscopic modeling of a spin crossover transition
نویسندگان
چکیده
منابع مشابه
A Spin Crossover Transition in a Mn(II) Chain Compound
Three new compounds have been synthesized and characterized with Fe(II), Co(II) and Mn(II), the polynitrile anionic ligand 1,1,3,3-tetracyano-2-(3-hydroxypropoxy)-propenide (tcnopr3OH ́) and the co-ligand 4,41-bipyridine (4,41-bpy). The Fe(II) compound, formulated as [FeII(tcnoprOH)2(H2O)2(4,41-bpy)2] (1), contains monomeric complexes where the Fe(II) ion is coordinated to two trans polynitrile ...
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We report the mechanisms for reversible and repeatable spin transition in a Prussian blue analog crystal, KCo[Fe(CN)6], derived from first-principles calculations. The forward and reverse transitions are initiated by metal-to-metal charge transfer, followed by the d-electron rearrangement at the Co center. Further, these transitions are strongly correlated with bond lengths within the crystal l...
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Phase-pure solid solutions of [Co(terpy)(2)][BF(4)](2) and [M(bpp)(2)][BF(4)](2) (M = Fe or Ru, bpp = 2,6-dipyrazol-1-ylpyridine) have been prepared. The spin-state of the [Co(terpy)(2)](2+) dopant is modulated by the spin-state of the [Fe(bpp)(2)](2+) centres in the iron-containing materials.
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ژورنال
عنوان ژورنال: New Journal of Physics
سال: 2007
ISSN: 1367-2630
DOI: 10.1088/1367-2630/9/12/448