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

Date

2020

Authors

Rabouel, Ismaël
Richy, Nicolas
Amar, Anissa
Boucekkine, Abdou
Roisnel, Thierry
Mongin, Olivier
Humphrey, Mark
Paul, Frederic

Journal Title

Journal ISSN

Volume Title

Publisher

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.

Description

Keywords

thioisocyanurates, isocyanurates, thionation, DFT calculations, cyclic thioureas, linear optics, cyclic urea

Citation

Source

Molecules

Type

Journal article

Book Title

Entity type

Access Statement

Open Access

License Rights

Creative Commons Attribution (CC BY) license

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