Vol 66 No 2 (2021): Journal of the Chilean Chemical Society
Original Research Papers
A NEW SYNTHETIC THIO-CHALCONE INTENDED AS A LIGAND FOR POLYMETALLIC COORDINATION COMPOUNDS: STRUCTURAL, ELECTROCHEMICAL AND THEORETICAL STUDY.
Published
June 13, 2021
Keywords
- chalcone,
- cyclic voltammetry,
- DFT calculations,
- crystal structure,
- diffusion coefficient
How to Cite
Moreno, Y. (2021). A NEW SYNTHETIC THIO-CHALCONE INTENDED AS A LIGAND FOR POLYMETALLIC COORDINATION COMPOUNDS: STRUCTURAL, ELECTROCHEMICAL AND THEORETICAL STUDY. Journal of the Chilean Chemical Society, 66(2), 5190-5194. Retrieved from https://jcchems.com/index.php/JCCHEMS/article/view/1749
Copyright (c) 2021 SChQ
This work is licensed under a Creative Commons Attribution-NonCommercial-ShareAlike 4.0 International License.
Abstract
The new chalcone, 1-(PYRIDIN-2-YL)-3-(THIOPHEN-2-YL)PROPENONE, has been synthesized and its crystal and molecular structure determined. An electrochemical characterization of the molecule disclosed some reversible and irreversible processes in its cathodic/anodic reactions. A density functional study was carried out in order to calculate the frontier molecular orbitals and the diffusion coefficient, which showed very good agreement with the experimental data.
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