Cl atoms and CO molecules were trapped in a solid Ar matrix at 16 K. The formation of ClCO was followed via its IR spectrum. The vibrational frequencies of35Cl12C16O were observed at 1876.7, 570.1, and 334.6 cmminus;1. Experiments with different CO isotopomers were performed in order to confirm the assignment of the absorptions and to characterize the force field. The results extend and correct earlier data lsqb;M. E. Jacox and D. E. Milligan, J. Chem. Phys.43, 866 (1965)rsqb;. With the help of quantum chemical calculations (UHF, MP2), the optimized ClCO bond angle was obtained to be 129.2deg;. The computed bond lengths were determined to be 1.159 Aring; for Cndash;O and 1.807 Aring; for Cndash;Cl. Based on force constant calculations, the Cndash;Cl bond in ClCO was found to be extremely weak compared to that in Cl2CO.
展开▼