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Spin-Crossover Temperature Predictable from DFT Calculation for Iron(II) Complexes with 4-Substituted Pybox and Related Heteroaromatic Ligands

[Image: see text] Spin-crossover (SCO) is a reversible transition between low and high spin states by external stimuli such as heat. The SCO behavior and transition temperature (T(1/2)) of a series of [Fe(II)(X-pybox)(2)](ClO(4))(2) were studied to establish a methodology for ligand-field engineerin...

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Detalles Bibliográficos
Autores principales: Kimura, Akifumi, Ishida, Takayuki
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2018
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6644749/
https://www.ncbi.nlm.nih.gov/pubmed/31458846
http://dx.doi.org/10.1021/acsomega.8b01095