Development of Metal Cyanurates: The Example of Barium Cyanurate (BCY). Issue 15 (28th April 2014)

• Record Type: Journal Article
• Authors: Kalmutzki, Markus; Ströbele, Markus; Bettinger, Holger F.; Meyer, H.‐Jürgen
• Is Part Of: European journal of inorganic chemistry. Issue 15(2014)
• Page Start: 2536
• Page End: 2543
• Publication Date: 2014-04-28
• Subjects: Cyanurates -- Barium -- Metathesis -- Solid‐state reactions -- Density functional calculations; Chemistry, Inorganic -- Periodicals; Organometallic chemistry -- Periodicals; Bioinorganic chemistry -- Periodicals; Solid state chemistry -- Periodicals; 546
• DOI: 10.1002/ejic.201400014
• Languages: English
• ISSNs: 1434-1948

Abstract

Abstract: Metal cyanurate compounds were prepared by means of solid‐state metathesis reactions between a metal halide and an alkali cyanurate. Following this procedure, a mixture of BaCl2 and K(OCN) was heated in a fused silica tube at 575 °C to yield highly crystalline barium cyanurate. This reaction was analyzed by differential scanning calorimetry (DSC) measurements and involves a cyclotrimerization of cyanate ions to yield the cyclic cyanurate (O3 C3 N3 ) 3– ion. The crystal structure of Ba3 (O3 C3 N3 )2 was refined by single‐crystal X‐ray diffraction, and the presence of cyanurate was verified by infrared spectroscopy. Abstract : The binary metal cyanurate Ba3 (O3 C3 N3 )2 was synthesized by a solid‐state metathesis reaction, and the nature of the cyanurate ion was examined by density functional methods.