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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...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2018
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| 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 |