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# G. SUM RULE ANALYSES OF THE VIBRATIONAL INTENSITIES OF $CHF_{3}$ AND $CDF_{3}$

Please use this identifier to cite or link to this item: http://hdl.handle.net/1811/11575

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 Title: G. SUM RULE ANALYSES OF THE VIBRATIONAL INTENSITIES OF $CHF_{3}$ AND $CDF_{3}$ Creators: Bruns, Roy E.; Brown, D. I. Issue Date: 1981 Abstract: 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 $F_{2}CS$. URI: http://hdl.handle.net/1811/11575 Other Identifiers: 1981-RA-12