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 derivativ...
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| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2023-11-01
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| Series: | Chemistry Proceedings |
| Subjects: | |
| Online Access: | https://www.mdpi.com/2673-4583/14/1/1 |
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