Influence of structural changes on photophysical properties of terpyridine derivates: Experimental studies and theoretical calculations
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Fecha
2018-02
Profesor/a Guía
Facultad/escuela
Idioma
en
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Editor
Elsevier B.V.
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Licencia CC
CC BY-NC-ND 4.0
Licencia CC
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. © 2017
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Indexación Scopus
Palabras clave
(2,2'-6',2'')-terpyridine, Polymers, Metal-Organic Frameworks
Citación
Journal of Molecular Structure Volume 1153, Pages 282 - 2915 February 2018
DOI
10.1016/j.molstruc.2017.10.011