Academic Journal
G. SUM RULE ANALYSES OF THE VIBRATIONAL INTENSITIES OF $CHF_{3}$ AND $CDF_{3}$
| العنوان: | G. SUM RULE ANALYSES OF THE VIBRATIONAL INTENSITIES OF $CHF_{3}$ AND $CDF_{3}$ |
|---|---|
| المؤلفون: | Bruns, Roy E., Brown, D. I. |
| بيانات النشر: | Ohio State University |
| سنة النشر: | 1981 |
| المجموعة: | Ohio State University (OSU): Knowledge Bank |
| الوصف: | $^{1}$ R. Levine and W.B. Person, J. phys. Chem. 81, 1118 (1977). ; Author Institution: ; The G sum rule, expressed in terms of atomic effective charges, has been applied to the total vibrational intensity sum and to the intensity sums of the $A_{1}$ and E symmetry species of $CHF_{3}$ and $CDF_{3}$. The latter sums provide information about the correct separation of the $v_{2}$, $v_{5}$ overlapped band (= 1.5:10) whereas the first sum points to a preferred literature value for the total intensity of this band $(62 \pm 80$ km mole $^{-1}).^{1}$ The G sum rule is useful in the selection of a set of preferred signs for the $\partial p/ \partial Q_{1}$’s for these molecules. The hydrogen effective charge of $CHF_{3}$ (0.06 $e$) is smaller than the ones found in the hydrocarbons and methyl fluoride. On the other band, the fluorine value $(\approx 1.1 e)$ is similar to the values encountered in $CH_{3}$, $F_{2}CO$ and $F_{2}CS$. |
| نوع الوثيقة: | article in journal/newspaper |
| وصف الملف: | 72014 bytes; image/jpeg |
| اللغة: | English |
| Relation: | 1981-RA-12; http://hdl.handle.net/1811/11575 |
| الاتاحة: | http://hdl.handle.net/1811/11575 |
| رقم الانضمام: | edsbas.C6C35B61 |
| قاعدة البيانات: | BASE |
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