Abstract
The vibrational frequencies of the six antisymmetric stretching modes of the ozone isotopomers, 16O 3, 16O 2 18O, …, 18O 3, in both Ar and Kr matrices have been measured (±0.05 cm −1). Upper and lower limits to the valence bond angle have been calculated and compared to each other and to the gas-phase bond angle. Derived values of the anharmonicity of the antisymmetric stretching mode ( 2X 33 + ( 1 2 )X 13 + ( 1 2 )X 23 ) of O 3 are −41.65 ± 1.5 cm −1 in Ar and −44.18 ± 1.5 cm −1 in Kr. The ozone molecule has very anharmonic antisymmetric vibrations compared with other known molecules. The bond angles of O 3 in both Ar and Kr, which were derived from measured frequencies including the effects of anharmonicity, agree with one another within the experimental uncertainty (0.4°) and these angles are also in agreement with the gas-phase angle, 116.8 ± 0.5°. It was concluded that, in general, bond angle determination from the frequencies of antisymmetric stretching modes of isotopomers cannot be done accurately without information about the vibrational anharmonicity.
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