INTEGRATED INTENSITIES AND ATOMIC POLAR TENSORS IN $CHF_{3}$ AND $CDF_{3}$
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Date
1980
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Ohio State University
Abstract
The integrated intensities of the fundamental absorption bands of $CHF_{3}$ and $CDF_{3}$ have been measured using the Wilson-Wells-Penner-Weber method. The results are in $CHF_{3}, 24.2 \pm 0.9, 12.3 \pm 0.9, 81.8 \pm 1.1$, and $4.2\pm 0.3$ km $mol^{-1}$ for the A modes at 3036 and $700 cm^{-1}$ and the E modes at 1372 and $507 cm^{-1}$, respectively, and $627\pm 10$ km $mol^{-1}$ for the overlapping bands centered at $1150 cm^{-1}$, and in $CDF_{3}, 29.5 \pm 2.0, 76.7 \pm 1.5, 12.9 \pm 0.4, 579 \pm 7, 47.5 \pm 4.0$ and $4.5\pm 0.2$ km $mol^{-1}$ for the A modes at 2257, 1109 and $693 cm^{-1}$, and the E modes at 1209, 974 and $503 cm^{-1}$, respectively. The values of the hydrogen and fluorine atom affective charges derived from these data, making use of the concept of the atomic polar tensors, are $X_{H}=0.049\pm 0.004$ e and $X_{F}=0.6000 \pm 0.004$ e, which are not only in good agreement with the SCF ab-initio calculation but also rather close to those of other fluoromethanes.
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