Sr<sub>2</sub>Zn(C<sub>3</sub>N<sub>3</sub>O<sub>3</sub>)<sub>2</sub>: An Alkaline Earth and <i>d</i><sup>10</sup> Transition Metal Based Ultraviolet Cyanurate with Large Birefringence
Birefringent properties of materials have garnered significant interest in both the military and civilian scientific domains. The rational combination of mixed alkaline earth and fully filled <i>d</i><sup>10</sup> transition metal cations in the cyanurates may achieve large birefringence and good transparency in the UV region by regulating planar π-conjugated (C<sub>3</sub>N<sub>3</sub>O<sub>3</sub>)<sup>3-</sup> anions. This work successfully synthesized a new metal cyanurate Sr<sub>2</sub>Zn(C<sub>3</sub>N<sub>3</sub>O<sub>3</sub>)<sub>2</sub> (SZCY) by a solid-state cyclo-trimerization reaction featuring a planar π-conjugated laminar crystal structure. SZCY displays a wide bandgap (<i>E</i><sub>g</sub> ∼ 5.30 eV) and large birefringence (Δ<i>n</i> = 0.31 at 1064 nm). The first-principles calculation revealed that the optical properties of SZCY are mainly due to the parallel arrangement of (C<sub>3</sub>N<sub>3</sub>O<sub>3</sub>)<sup>3-</sup> groups.
Authors
- Fei Liang (ORCID: https://orcid.org/0000-0002-4932-1329)
- Yicheng Wu (ORCID: https://orcid.org/0000-0003-2859-8115)
- N.F. Wang
- Xinyuan Zhang (ORCID: https://orcid.org/0000-0003-0388-2240)
- Zhanggui Hu (ORCID: https://orcid.org/0000-0001-8533-1818)
Institutions
- Tianjin University of Technology (CN)
- Shandong University (CN)
- Crystal Research (United States) (US)
- State Key Laboratory of Crystal Materials
Publication Details
- Journal
- Inorganic Chemistry
- Published
- 2025-02-03
- DOI
- https://doi.org/10.1021/acs.inorgchem.4c05186
- Citations
- 3
- Primary Topic
- Crystal Structures and Properties
- Type
- article
- Field-Weighted Citation Impact
- 1.28
Funders
- National Natural Science Foundation of China
- Natural Science Foundation of Shandong Province
- Key Laboratory of Functional Crystals and Laser Technology, Chinese Academy of Sciences