| Autor: |
Alanko, S., Koivusaari, M., Paso, R., Anttila, R. |
| Zdroj: |
Journal of Molecular Spectroscopy; May 2001, Vol. 207 Issue: 1 p89-98, 10p |
| Abstrakt: |
The infrared spectrum in the range 900-1230 cm including the fundamental bands ν 3 and ν 6 of CD 3 CN has been studied. The resolution attained was 0.0025 cm in the measurement on the Bruker 120 HR Fourier spectrometer in Oulu. About 4000 lines were assigned in the ν 6 band. For the weak ν 3 band, which has not been observed earlier directly, we were able to assign 206 lines in three subbands K =8-10. These lines become detectable due to the strong ν 3 /ν 6 Coriolis resonance. There is also an ℓ(1,−2) resonance between ν 3 and ν 6 , which made it possible to obtain a value 2.647721(50) cm for the axial rotational constant A 0 , when D 0 from force field calculations was applied. Different types of resonances with the overtone 3ν 8 and the combinations ν 4 +ν 8 and ν 7 +ν 8 were observed. A fit with a standard deviation of 0.0019 cm was attained by using a model of 10 different resonances. |
| Databáze: |
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