A(H3C3N3O3)(NO3) (A = K, Rb): Alkali-Metal Nitrate Isocyanurates with Strong Optical Anisotropy
- 28 June 2020
- journal article
- research article
- Published by American Chemical Society (ACS) in Inorganic Chemistry
- Vol. 59 (14), 10361-10367
- https://doi.org/10.1021/acs.inorgchem.0c01502
Abstract
The first alkali-metal nitrate isocyanurates, A(H3C3N3O3)(NO3) (A = K, Rb), were synthesized by the tactic of introducing (NO3)− into isocyanurate with a mild hydrothermal technique. They crystallized into the same monoclinic centrosymmetric (CS) space group P21/c, which featured a 2D [(H3C3N3O3)(NO3)]∞ layered structure separated by K+ and Rb+ cations, respectively. Both compounds exhibited short ultraviolet cutoff edges (λcutoff = 228 and 229 nm) and large birefringences (Δn = 0.253 and 0.224 at 546.1 nm). More importantly, in comparison with most of the isocyanurates and nitrates, they have better thermal stability with decomposition temperatures up to 319.8 and 324.4 °C. In addition, our theoretical calculations reveal that the π-conjugated groups play significant roles in improving the optical anisotropy. Remarkably, introducing a π-conjugated inorganic acid radical (NO3)− into isocyanurate is an extremely meaningful strategy to explore new UV birefringent crystals.Keywords
Funding Information
- Ministry of Science and Technology of the People's Republic of China (2016YFB0402104)
- Natural Science Foundation of Fujian Province (2019J01020758)
- Youth Innovation Promotion Association of the Chinese Academy of Sciences (2019303)
- National Natural Science Foundation of China (21921001, 21975255, 51890862, U1605245)
- Chinese Academy of Sciences (XDB20000000)
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