Assessing the Strategic Preparation of Coordination Polymer Particles: A Computational Analysis of the Impact of Different Catechol-Based Ligands
DFT calculations were applied to an iron/catechol derivative system to investigate their effect on the structure of CPPs as a function of (a) metal valence—Fe<sup>+2</sup> and Fe<sup>+3</sup> in high- and low-spin states; (b) type of chelating groups in the catechol derivatives and their geometries;...
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| Principais autores: | , , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado: |
MDPI AG
2023-11-01
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| Series: | Chemistry Proceedings |
| Assuntos: | |
| Acceso en liña: | https://www.mdpi.com/2673-4583/14/1/1 |
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