FORCE CONSTANTS FOR $CHClBr_{2}$ AND $CDClBr_{2}$
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Date
1951
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Ohio State University
Abstract
Using the Wilson FG matrix method and force $constants^{1}$ transferred from previous work on $CBr_{3}$ H, it was possible to get agreement within 3 percent between the calculated and observed values of the three type-A' fundamental frequencies of $CHClBr_{2}$. After modifying only two of the F matrix elements, the agreement was improved to 0.8 percent for both $CHClBr_{2}$ and $CDClBr_{2}$. The six type-A' frequencies also were calculated for $CHClBr_{2}$ using modified F matrix elements based on force $constants^{1,2}$ transferred from $CBr_{3}H, CBr_{3}D, CCl_{3}H$, and $CCl_{3}D$; and the calculated and observed values agreed to within 1.8 percent. Calculation of the A' frequencies of $CDClBr_{2}$ is in progress, using the same F matrix elements that were used for $CHClBr_{2}$, in order to determine how well these F matrix elements will reproduce the $CDClBr_{2}$ frequencies.
Description
$^{1}$ A. G. Meister, S. E. Rosser, and F. F. Cleveland, J. Chem. Phys. 18, 346 (1950) $^{2}$ J. P. Zietlow, F. F. Cleveland and A. G. Meister, J. Chem. Phys. 18, 1076 (1950)
Author Institution: Illinois Institute of Technology
Author Institution: Illinois Institute of Technology