1,3,5-Triaryl-1,3,5-Triazinane-2,4,6-Trithiones: Synthesis, Electronic Structure and Linear Optical Properties

The synthesis of four new 1,3,5-triaryl-1,3,5-triazinane-2,4,6-trithione derivatives (thioisocyanurates) and two new partially thionated analogues from the corresponding 1,3,5-triaryl-1,3,5-triazinane-2,4,6-triones (isocyanurates) is reported, together with their spectroscopic properties. DFT calcul...

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Detalles Bibliográficos
Autores principales: Rabouel, Ismaël, Richy, Nicolas, Amar, Anissa, Boucekkine, Abdou, Roisnel, Thierry, Mongin, Olivier, Humphrey, Mark G., Paul, Frédéric
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2020
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7700228/
https://www.ncbi.nlm.nih.gov/pubmed/33238454
http://dx.doi.org/10.3390/molecules25225475
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author Rabouel, Ismaël
Richy, Nicolas
Amar, Anissa
Boucekkine, Abdou
Roisnel, Thierry
Mongin, Olivier
Humphrey, Mark G.
Paul, Frédéric
author_facet Rabouel, Ismaël
Richy, Nicolas
Amar, Anissa
Boucekkine, Abdou
Roisnel, Thierry
Mongin, Olivier
Humphrey, Mark G.
Paul, Frédéric
author_sort Rabouel, Ismaël
collection PubMed
description The synthesis of four new 1,3,5-triaryl-1,3,5-triazinane-2,4,6-trithione derivatives (thioisocyanurates) and two new partially thionated analogues from the corresponding 1,3,5-triaryl-1,3,5-triazinane-2,4,6-triones (isocyanurates) is reported, together with their spectroscopic properties. DFT calculations and comparison with the corresponding isocyanurates evidence the impact of the oxygen-for-sulfur replacement on the electronic structure and linear optical properties of these heterocycles. A bathochromic shift of the absorption bands and more efficient quenching of the fluorescence was observed.
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spelling pubmed-77002282020-11-30 1,3,5-Triaryl-1,3,5-Triazinane-2,4,6-Trithiones: Synthesis, Electronic Structure and Linear Optical Properties Rabouel, Ismaël Richy, Nicolas Amar, Anissa Boucekkine, Abdou Roisnel, Thierry Mongin, Olivier Humphrey, Mark G. Paul, Frédéric Molecules Article The synthesis of four new 1,3,5-triaryl-1,3,5-triazinane-2,4,6-trithione derivatives (thioisocyanurates) and two new partially thionated analogues from the corresponding 1,3,5-triaryl-1,3,5-triazinane-2,4,6-triones (isocyanurates) is reported, together with their spectroscopic properties. DFT calculations and comparison with the corresponding isocyanurates evidence the impact of the oxygen-for-sulfur replacement on the electronic structure and linear optical properties of these heterocycles. A bathochromic shift of the absorption bands and more efficient quenching of the fluorescence was observed. MDPI 2020-11-23 /pmc/articles/PMC7700228/ /pubmed/33238454 http://dx.doi.org/10.3390/molecules25225475 Text en © 2020 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/).
spellingShingle Article
Rabouel, Ismaël
Richy, Nicolas
Amar, Anissa
Boucekkine, Abdou
Roisnel, Thierry
Mongin, Olivier
Humphrey, Mark G.
Paul, Frédéric
1,3,5-Triaryl-1,3,5-Triazinane-2,4,6-Trithiones: Synthesis, Electronic Structure and Linear Optical Properties
title 1,3,5-Triaryl-1,3,5-Triazinane-2,4,6-Trithiones: Synthesis, Electronic Structure and Linear Optical Properties
title_full 1,3,5-Triaryl-1,3,5-Triazinane-2,4,6-Trithiones: Synthesis, Electronic Structure and Linear Optical Properties
title_fullStr 1,3,5-Triaryl-1,3,5-Triazinane-2,4,6-Trithiones: Synthesis, Electronic Structure and Linear Optical Properties
title_full_unstemmed 1,3,5-Triaryl-1,3,5-Triazinane-2,4,6-Trithiones: Synthesis, Electronic Structure and Linear Optical Properties
title_short 1,3,5-Triaryl-1,3,5-Triazinane-2,4,6-Trithiones: Synthesis, Electronic Structure and Linear Optical Properties
title_sort 1,3,5-triaryl-1,3,5-triazinane-2,4,6-trithiones: synthesis, electronic structure and linear optical properties
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7700228/
https://www.ncbi.nlm.nih.gov/pubmed/33238454
http://dx.doi.org/10.3390/molecules25225475
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