Abstract
The coordination polymer CPO-27-Mg was rapidly synthesized under microwave irradiation. This material exhibits a sufficiently high drug loading towards aspirin (~8% wt.) and paracetamol (~14% wt.). The binding of these two molecules with the inner surface of the metal-organic framework was studied employing the Gaussian and Plane Wave approach of the Density Functional Theory. The structure of CPO-27-Mg persists after the adsorption of aspirin or paracetamol and their desorption energies, being quite high, decrease under solvent conditions.
Original language | English |
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Article number | 426 |
Number of pages | 9 |
Journal | Molecules |
Volume | 26 |
Issue number | 2 |
DOIs | |
Publication status | Published - 15 Jan 2021 |
MoE publication type | A1 Journal article-refereed |