Cs2Mg(H2C3N3S3)4·8H2O: An Excellent Birefringent Material with Giant Optical Anisotropy in π-Conjugated Trithiocyanurate

Xia Hao; Chensheng Lin; Min Luo; Yuqiao Zhou; Ning Ye; Enbo Shangguan

doi:10.1021/acs.inorgchem.3c00802

Cs₂Mg(H₂C₃N₃S₃)₄·8H₂O: An Excellent Birefringent Material with Giant Optical Anisotropy in π-Conjugated Trithiocyanurate

Inorg Chem. 2023 May 22;62(20):7611-7616. doi: 10.1021/acs.inorgchem.3c00802. Epub 2023 May 11.

Authors

Xia Hao¹, Chensheng Lin², Min Luo², Yuqiao Zhou³, Ning Ye⁴, Enbo Shangguan⁵

Affiliations

¹ School of Materials Science and Engineering, Henan Normal University, Xinxiang 453007, P. R. China.
² Key Laboratory of Optoelectronic Materials Chemistry and Physics, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 350002, P. R. China.
³ Key Laboratory of Green Chemistry and Technology, Ministry of Education, College of Chemistry, Sichuan University, Chengdu 610064, P. R. China.
⁴ Tianjin Key Laboratory of Functional Crystal Materials, Institute of Functional Crystal, Tianjin University of Technology, Tianjin 300384, China.
⁵ Henan Engineering Research Center of Design and Recycle for Advanced Electrochemical Energy Storage Materials, School of Materials Science and Engineering, Henan Normal University, Xinxiang 453007, P. R. China.

PMID: 37167341
DOI: 10.1021/acs.inorgchem.3c00802

Abstract

The design of giant birefringence was performed by adjusting cations to make parallel and compact alignments of π-conjugated (H_xC₃N₃S₃)^x-3, where x = 1 and 2) groups with large polarizability anisotropy. Finally, the first mixed alkali/alkali-earth-metal trithiocyanurates, A₂B(H₂C₃N₃S₃)₄·nH₂O (A = K, Rb, Cs; B = Mg, Sr; n = 5-8, 12), were designed and synthesized successfully. Importantly, Cs₂Mg(H₂C₃N₃S₃)₄·8H₂O (III) and K₂Sr(H₂C₃N₃S₃)₄·5H₂O (IV) possess large birefringences of 0.580 and 0.194 at 800 nm, respectively, of III has the largest birefringence among all practical birefringent crystals, cyanurates, and hydroisocyanurates.