Asymmetric conformation of the high-spin state of iron(II)-tris(2,2-bipyridine): Time-resolved x-ray absorption and ultraviolet circular dichroism
We analyze the structures of the low-spin (LS) ground state and the high-spin (HS) lowest excited state of the iron-(II)-tris bipyridine complex ([Fe(bpy)3]2+) using density functional theory PBE methods, modeling the solvent interactions with conductor-like polarizable continuum model. These calcul...
Gardado en:
| Principais autores: | , , , , , , , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado: |
AIP Publishing LLC and ACA
2024-11-01
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| Series: | Structural Dynamics |
| Acceso en liña: | http://dx.doi.org/10.1063/4.0000268 |
| Tags: |
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