Synthesis, Structure, and Frequency‐Doubling Effect of Calcium Cyanurate

Abstract

Calcium cyanurate is synthesized by reacting calcium chloride with potassium cyanate following a solid-state reaction. The formation of the new compound Ca3(O3C3N3)2 (CCY), which occurs by the cyclotrimerization of cyanate ions, was examined thermoanalytically and the crystal structure was determined by single-crystal structure analysis. The structure of CCY is closely related to the structure of the well-known oxoborate β-BaB2O4 (BBO). Second harmonic generation (SHG) measurements on crystal powders show a higher SHG efficiency for CCY than for BBO by about one order of magnitude.