Theoretical Investigation of the Electronic Structure of Fe(II) Complexes at Spin-State Transitions

[Image: see text] The electronic structure relevant to low spin (LS)↔high spin (HS) transitions in Fe(II) coordination compounds with a FeN(6) core are studied. The selected [Fe(tz)(6)](2+) (1) (tz = 1H-tetrazole), [Fe(bipy)(3)](2+) (2) (bipy = 2,2′-bipyridine), and [Fe(terpy)(2)](2+) (3) (terpy = 2...

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Detalles Bibliográficos
Autores principales: Pápai, Mátyás, Vankó, György, de Graaf, Coen, Rozgonyi, Tamás
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2012
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4358629/
https://www.ncbi.nlm.nih.gov/pubmed/25821416
http://dx.doi.org/10.1021/ct300932n

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4358629/
https://www.ncbi.nlm.nih.gov/pubmed/25821416
http://dx.doi.org/10.1021/ct300932n

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