A NEW SYNTHETIC THIO-CHALCONE INTENDED AS A LIGAND FOR POLYMETALLIC COORDINATION COMPOUNDS: STRUCTURAL, ELECTROCHEMICAL AND THEORETICAL STUDY
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 functi...
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Sociedad Chilena de Química
2021
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oai:scielo:S0717-970720210002051902021-07-05A NEW SYNTHETIC THIO-CHALCONE INTENDED AS A LIGAND FOR POLYMETALLIC COORDINATION COMPOUNDS: STRUCTURAL, ELECTROCHEMICAL AND THEORETICAL STUDYBrovelli,F.Baggio,R.Álvarez,L.Moreno,Y. Chalcone cyclic voltammetry DFT calculations crystal structure diffusion coefficient 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.info:eu-repo/semantics/openAccessSociedad Chilena de QuímicaJournal of the Chilean Chemical Society v.66 n.2 20212021-04-01text/htmlhttp://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0717-97072021000205190en10.4067/S0717-97072021000205190 |
institution |
Scielo Chile |
collection |
Scielo Chile |
language |
English |
topic |
Chalcone cyclic voltammetry DFT calculations crystal structure diffusion coefficient |
spellingShingle |
Chalcone cyclic voltammetry DFT calculations crystal structure diffusion coefficient Brovelli,F. Baggio,R. Álvarez,L. Moreno,Y. A NEW SYNTHETIC THIO-CHALCONE INTENDED AS A LIGAND FOR POLYMETALLIC COORDINATION COMPOUNDS: STRUCTURAL, ELECTROCHEMICAL AND THEORETICAL STUDY |
description |
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. |
author |
Brovelli,F. Baggio,R. Álvarez,L. Moreno,Y. |
author_facet |
Brovelli,F. Baggio,R. Álvarez,L. Moreno,Y. |
author_sort |
Brovelli,F. |
title |
A NEW SYNTHETIC THIO-CHALCONE INTENDED AS A LIGAND FOR POLYMETALLIC COORDINATION COMPOUNDS: STRUCTURAL, ELECTROCHEMICAL AND THEORETICAL STUDY |
title_short |
A NEW SYNTHETIC THIO-CHALCONE INTENDED AS A LIGAND FOR POLYMETALLIC COORDINATION COMPOUNDS: STRUCTURAL, ELECTROCHEMICAL AND THEORETICAL STUDY |
title_full |
A NEW SYNTHETIC THIO-CHALCONE INTENDED AS A LIGAND FOR POLYMETALLIC COORDINATION COMPOUNDS: STRUCTURAL, ELECTROCHEMICAL AND THEORETICAL STUDY |
title_fullStr |
A NEW SYNTHETIC THIO-CHALCONE INTENDED AS A LIGAND FOR POLYMETALLIC COORDINATION COMPOUNDS: STRUCTURAL, ELECTROCHEMICAL AND THEORETICAL STUDY |
title_full_unstemmed |
A NEW SYNTHETIC THIO-CHALCONE INTENDED AS A LIGAND FOR POLYMETALLIC COORDINATION COMPOUNDS: STRUCTURAL, ELECTROCHEMICAL AND THEORETICAL STUDY |
title_sort |
new synthetic thio-chalcone intended as a ligand for polymetallic coordination compounds: structural, electrochemical and theoretical study |
publisher |
Sociedad Chilena de Química |
publishDate |
2021 |
url |
http://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0717-97072021000205190 |
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