Two spectral QSPR models of porphyrin macromolecules for chelating heavy metals and different ligands released from industrial solvents: CH

Autor: A R, Akbarzadeh, M, Nekoeifard, R, Rahmatollah, M H, Keshavarz
Rok vydání: 2020
Předmět:
Zdroj: SAR and QSAR in environmental research. 31(5)
ISSN: 1029-046X
Popis: Two simple and reliable correlations are introduced for the prediction of emission and absorption of porphyrins and their derivatives, i.e. metalloporphyrins and ligand coordinated metalloporphyrins. They can be used to sense the extracted precious metals. The proposed models require only simple structural parameters such as the number of carbon, metal and metal-free molecular fragments of desirable porphyrins or their derivatives. Since the proposed models depend on molecular structures of the desired compounds, they can be easily applied for complex molecular structures. Experimental data of 272 porphyrin derivatives were used to derive and test the novel models for the assessment of their emission (
Databáze: OpenAIRE