Influence of structural changes on photophysical properties of terpyridine derivates: Experimental studies and theoretical calculations

Dominique Toledo, Francisco Brovelli, Jorge Soto-Delgado, Octavio Peña, Jean Yves Pivan, Yanko Moreno

Resultado de la investigación: Research - revisión exhaustivaArticle

Resumen

Four terpyridine ligands containing different aryl substituents 4'-(4-quinolinyl)-3,2':6′,3″-terpyridine (3-qtpy), 4'-(4-quinolinyl)-2,2':6′,2″-terpyridine (2-qtpy), 4'-(3-methyl-2-thienyl)-4,2':6′,4″-terpyridine (4-stpy) and 4'-(3-methyl-2-thienyl)-2,2':6′,2″-terpyridine (2-stpy) were synthesized in a one-pot procedure and characterized by elemental analysis, FT-IR and 1H- and 13C NMR spectroscopy. Additionally, the 2-stpy structure was confirmed by single crystal X-ray diffraction analysis. The influence of the N-position in the tpy and aryl substituents on the photophysical properties was systematically investigated by spectroscopic methods and simulated by density functional theory (DFT and TD-DFT) calculations. Thermal stability was observed until about 280 °C, making these kind of ligands interesting candidates for their use as complex ligands, which are obtained by solvothermal synthesis under temperatures of about 180 °C. The electrochemical behavior was also investigated. All molecules show irreversible anodic and cathodic voltammetric peaks in organic medium.

IdiomaEnglish
Páginas282-291
Número de páginas10
PublicaciónJournal of Molecular Structure
Volumen1153
DOI
EstadoPublished - 5 feb 2018

Huella dactilar

Ligands
Discrete Fourier transforms
(2,2'-6',2'')-terpyridine
X ray diffraction analysis
Nuclear magnetic resonance spectroscopy
Density functional theory
Thermodynamic stability
Single crystals
Molecules
Chemical analysis
Temperature

ASJC Scopus subject areas

  • Analytical Chemistry
  • Spectroscopy
  • Organic Chemistry
  • Inorganic Chemistry

Citar esto

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title = "Influence of structural changes on photophysical properties of terpyridine derivates: Experimental studies and theoretical calculations",
abstract = "Four terpyridine ligands containing different aryl substituents 4'-(4-quinolinyl)-3,2':6′,3″-terpyridine (3-qtpy), 4'-(4-quinolinyl)-2,2':6′,2″-terpyridine (2-qtpy), 4'-(3-methyl-2-thienyl)-4,2':6′,4″-terpyridine (4-stpy) and 4'-(3-methyl-2-thienyl)-2,2':6′,2″-terpyridine (2-stpy) were synthesized in a one-pot procedure and characterized by elemental analysis, FT-IR and 1H- and 13C NMR spectroscopy. Additionally, the 2-stpy structure was confirmed by single crystal X-ray diffraction analysis. The influence of the N-position in the tpy and aryl substituents on the photophysical properties was systematically investigated by spectroscopic methods and simulated by density functional theory (DFT and TD-DFT) calculations. Thermal stability was observed until about 280 °C, making these kind of ligands interesting candidates for their use as complex ligands, which are obtained by solvothermal synthesis under temperatures of about 180 °C. The electrochemical behavior was also investigated. All molecules show irreversible anodic and cathodic voltammetric peaks in organic medium.",
author = "Dominique Toledo and Francisco Brovelli and Jorge Soto-Delgado and Octavio Peña and Pivan, {Jean Yves} and Yanko Moreno",
year = "2018",
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journal = "Journal of Molecular Structure",
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Influence of structural changes on photophysical properties of terpyridine derivates : Experimental studies and theoretical calculations. / Toledo, Dominique; Brovelli, Francisco; Soto-Delgado, Jorge; Peña, Octavio; Pivan, Jean Yves; Moreno, Yanko.

En: Journal of Molecular Structure, Vol. 1153, 05.02.2018, p. 282-291.

Resultado de la investigación: Research - revisión exhaustivaArticle

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AU - Moreno,Yanko

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