title: 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.
authors.affiliation: Abteilung für Festkörperchemie und Theoretische Anorganische Chemie, Institut für Anorganische Chemie, Eberhard Karls Universität Tübingen, Auf der Morgenstelle 18, 72076 Tübingen (Germany).
authors.forename: Markus
authors.initials: M
authors.lastname: Kalmutzki
authors.forename: Markus
authors.initials: M
authors.lastname: Ströbele
authors.forename: Frank
authors.initials: F
authors.lastname: Wackenhut
authors.forename: Alfred J
authors.initials: AJ
authors.lastname: Meixner
authors.forename: H-Jürgen
authors.initials: HJ
authors.lastname: Meyer
mesh_terms: D002118:Calcium / Q000737:chemistry*; D008958:Models, Molecular; D015394:Molecular Structure; D009942:Organometallic Compounds / Q000138:chemical synthesis* / Q000737:chemistry*; D014227:Triazines / Q000737:chemistry*
chemical_list: D009942:Organometallic Compounds; D014227:Triazines; C004632:cyanuric acid; D002118:Calcium
keywords: crystal structures; cyanurates; frequency doubling; nonlinear optical materials; solid-state metathesis reactions