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Updated: Oct 25, 2025
From Molecules to Materials: Engineering New Ionic Liquid Crystals Through Halogen Bonding
Published on: March 24, 2018
[GaF(H2O)][IO3F]: a promising NLO material obtained by anisotropic polycation substitution
Qian-Ming Huang1,2, Chun-Li Hu1, Bing-Ping Yang1
1State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences Fuzhou 350002 P. R. China ybp@fjirsm.ac.cn mjg@fjirsm.ac.cn.
Abstract:
A novel salt-inclusion fluoroiodate [GaF(H2O)][IO3F] derived from CsIO2F2 was ingeniously obtained through anisotropic polycation substitution. Because the catenulate [GaF(H2O)]2+ framework serves as a template for the favorable assembly of the polar [IO3F]2- groups and contributes to the nonlinear coefficient, [GaF(H2O)][IO3F] exhibits a greatly improved second-harmonic generation (SHG) effect of 10 times that of KH2PO4 (KDP) and a considerable band gap of 4.34 eV compared to the parent compound CsIO2F2 (3 × KDP, 4.5 eV). Particularly, to the best of our knowledge, [GaF(H2O)][IO3F] has the largest laser-induced damage threshold (LDT) of 140 × AgGgS2 of the reported iodates. All these results signify that [GaF(H2O)][IO3F] 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.
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