1,3,5-Triaryl-1,3,5-Triazinane-2,4,6-Trithiones: Synthesis, Electronic Structure and Linear Optical Properties
Date
2020
Authors
Rabouel, Ismaƫl
Richy, Nicolas
Amar, Anissa
Boucekkine, Abdou
Roisnel, Thierry
Mongin, Olivier
Humphrey, Mark
Paul, Frederic
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Volume Title
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Molecular Diversity Preservation International
Abstract
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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Keywords
thioisocyanurates, isocyanurates, thionation, DFT calculations, cyclic thioureas, linear optics, cyclic urea
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Source
Molecules
Type
Journal article
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Open Access
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Creative Commons Attribution (CC BY) license
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