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Two metal-free cyanurate crystals with a large optical birefringence resulting from the combination of π-conjugated units.
- Source :
-
Dalton Transactions: An International Journal of Inorganic Chemistry . 12/21/2021, Vol. 50 Issue 47, p17495-17498. 4p. - Publication Year :
- 2021
-
Abstract
- Benefiting from the planar π-conjugated (HxC3N3O3)x−3 (x = 0–3) groups, cyanurate crystals have recently become a research hotspot in birefringent materials. Herein, by combining the (HxC3N3O3)x−3 (x = 0–3) group with the (CN3H6)+ cationic group, two metal-free cyanurates, GU(H2C3N3O3) (I) and GU3(H2C3N3O3)3(H3C3N3O3) (II), were obtained by the hydrothermal method. These compounds have wide band gaps (∼5 eV) and a large birefringence (∼0.40@400 nm), demonstrating their potential to be ultraviolet birefringent crystals. Moreover, first-principles calculations indicate that their large birefringence values originated from the synergistic effect of the (CN3H6)+ cations and (HxC3N3O3)x−3 (x = 0–3) groups. These findings provide a new design strategy for exploring low-cost UV birefringent crystals with a large birefringence. [ABSTRACT FROM AUTHOR]
- Subjects :
- *BAND gaps
*CRYSTALS
*BIREFRINGENCE
Subjects
Details
- Language :
- English
- ISSN :
- 14779226
- Volume :
- 50
- Issue :
- 47
- Database :
- Academic Search Index
- Journal :
- Dalton Transactions: An International Journal of Inorganic Chemistry
- Publication Type :
- Academic Journal
- Accession number :
- 173556404
- Full Text :
- https://doi.org/10.1039/d1dt03500b