Na2(C4O4)(H3BO3)(H2O)4·H3BO3: the first borate-squarate with strong SHG response obtained by superior synergy

Dong Yan; Yao Ma; Hongbo Huang; Bingbing Zhang; Ru-Ling Tang; Liang Hu; Fei-Fei Mao; Jie Zheng; Xiu-Du Zhang; Shu-Fang Li

doi:10.1039/d2cc05307a

Na₂(C₄O₄)(H₃BO₃)(H₂O)₄·H₃BO₃: the first borate-squarate with strong SHG response obtained by superior synergy

Chem Commun (Camb). 2022 Dec 22;59(2):219-222. doi: 10.1039/d2cc05307a.

Authors

Dong Yan^{1

2}, Yao Ma¹, Hongbo Huang³, Bingbing Zhang³, Ru-Ling Tang⁴, Liang Hu¹, Fei-Fei Mao^{2

5}, Jie Zheng¹, Xiu-Du Zhang¹, Shu-Fang Li^{1

2}

Affiliations

¹ Key Laboratory of Functional Molecular Solids, Ministry of Education, College of Chemistry and Materials Science, Anhui Normal University, Wuhu, Anhui 241002, P. R. China. [email protected].
² State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 350002, P. R. China.
³ College of Chemistry and Environmental Science, Hebei University, Baoding 071002, China. [email protected].
⁴ School of Chemistry and Chemical Engineering, Yangzhou University, Yangzhou, Jiangsu 225002, P. R. China.
⁵ College of Science, Nanjing Agricultural University, Nanjing 210095, P. R. China.

PMID: 36484229
DOI: 10.1039/d2cc05307a

Abstract

We herein report the first sodium borate-squarate, namely, Na₂(C₄O₄)(H₃BO₃)(H₂O)₄·H₃BO₃ (1). It has been successfully synthesized via introducing the planar π-conjugated (C₄O₄)^2- into a borate system. Compound 1 exhibits a strong second-harmonic-generation (SHG) response (2.1 × KDP), wide transparency in the ultraviolet (UV) region and a suitable birefringence of 0.26 at 1064 nm. Theoretical calculations indicate that the synergy effect between inorganic planar π-conjugated species H₃BO₃ and organic moiety (C₄O₄)^2- dominates the SHG process.