FLUORINATION OF CYANURIC CHLORIDE AND LOW -TEMPERATURE CRYSTAL-STRUCTURE OF [(CLCN)3F]-([ASF6])

The low-temperature fluorination of cyanuric chloride, (ClCN)3, With F 2/AsF5 in SO2F2 solution yielded the salt [(ClCN)3F]+[AsF6]- (1) essen tially in quantitative yield. Compound 1 was identified by a low-tempe rature single crystal X-ray structure determination: R 3cBAR, trigonal , a = b = 10.4246(23) angstrom, c = 15.1850(24) angstrom, V = 1429.1(4 ) angstrom3, Z = 6, R(F) = 0.056, R(W) = 0.076 (for significant reflec tions), R(F) = 0.088, R(W) = 0.079 (for all reflections). Fluorination of neat (ClCN), with [NF4]+[Sb2F11]- yielded NF3, CCIF3, SbF3, N2 and traces of CF4. A qualitative scale for the oxidizing strength of the oxidative fluorinators NF4+ and (XCN)3F+ (X = H, F, Cl) has been compu ted ab initio.