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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Autores principales: Brovelli,F., Baggio,R., Álvarez,L., Moreno,Y.
Lenguaje:English
Publicado: Sociedad Chilena de Química 2021
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Acceso en línea:http://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0717-97072021000205190
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spelling 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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