[GaF(HO)][IOF]: a promising NLO material obtained by anisotropic polycation substitution

• Published in: Chemical science (Cambridge) Vol. 12; no. 27; pp. 9333 - 9338
• Main Authors: Huang, Qian-Ming, Hu, Chun-Li, Yang, Bing-Ping, Fang, Zhi, Lin, Yuan, Chen, Jin, Li, Bing-Xuan, Mao, Jiang-Gao
• Format: Journal Article
• Language: English
• Published: England Royal Society of Chemistry 14.07.2021; The Royal Society of Chemistry
• Subjects: Chemistry; Crystallography; Iodates; Laser damage; Polyelectrolytes; Potassium phosphates; Second harmonic generation; Substitutes; Yield point
• ISSN: 2041-6520; 2041-6539
• DOI: 10.1039/d1sc01401c

A novel salt-inclusion fluoroiodate [GaF(H 2 O)][IO 3 F] derived from CsIO 2 F 2 was ingeniously obtained through anisotropic polycation substitution. Because the catenulate [GaF(H 2 O)] 2+ framework serves as a template for the favorable assembly of the polar [IO 3 F] 2− groups and contributes to the nonlinear coefficient, [GaF(H 2 O)][IO 3 F] exhibits a greatly improved second-harmonic generation (SHG) effect of 10 times that of KH 2 PO 4 (KDP) and a considerable band gap of 4.34 eV compared to the parent compound CsIO 2 F 2 (3 × KDP, 4.5 eV). Particularly, to the best of our knowledge, [GaF(H 2 O)][IO 3 F] has the largest laser-induced damage threshold (LDT) of 140 × AgGgS 2 of the reported iodates. All these results signify that [GaF(H 2 O)][IO 3 F] is a promising nonlinear optical (NLO) crystal. This work also proposes that anisotropic polycation substitution is an effective approach to optimize the SHG effect and develop excellent NLO materials. A novel salt-inclusion fluoroiodate nonlinear optical material, [GaF(H 2 O)][IO 3 F], is derived from CsIO 2 F 2 through polycation substitution, and it exhibits an intense SHG effect of 10 times that of KH 2 PO 4 and improved overall performance.