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Synthesis, structure, and frequency-doubling effect of calcium cyanurate
Markus Kalmutzki1, Markus Ströbele, Frank Wackenhut
1Abteilung für Festkörperchemie und Theoretische Anorganische Chemie, Institut für Anorganische Chemie, Eberhard Karls Universität Tübingen, Auf der Morgenstelle 18, 72076 Tübingen (Germany).
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.
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