INFRARED SPECTRUM AND FORCE FIELD OF CYANATE ION IN ALKALI HALIDE MATRICES.

This research was supported by Italian National Research Council and U. S. Air Force (AFOSR).Author Institution: Laboratory of Molecular Spectroscopy, University of Florence; Department of Chemistry, The Pennsylvania State UniversityThe infrared spectrum of cyanate ion isolated in alkali halide matrices has been examined between 5000 and $400 cm^{-1}$ at 100 and $300^{\circ}K$. Solid solutions of the cyanate ion in MX ($M = Na$, K and Rb, $X = Cl$, Br, and I) lattices have been obtained using the pressed disk technique and by heating the pellet at $540^{\circ}C$. Different isotopic cyanates $(^{13}CNO, C^{15}NO,^{13}C^{15}NO)$ have been prepared directly in the matrices by reaction of enriched potassium carbonate and ammonium chloride. Anharmonicity constants in the different matrices have been calculated by the least squares method. Using the anharmonicity constants the zero order frequencies and the harmonic force constants have been calculated for the various isotopic molecules and matrices