We herein report the first sodium borate-squarate, namely, Na(CO)(HBO)(HO)·HBO (1). It has been successfully synthesized introducing the planar π-conjugated (CO) 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 HBO and organic moiety (CO) dominates the SHG process.
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