Potential energy distributions and normal coordinates of methyl,methyl-d3 and partially deuterated methyl chloride,bromide and iodide |
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Authors: | John C Whitmer Brain D Lewis |
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Institution: | Department of Chemistry, Western Washington State College, Bellingham, Wa. 98225 U.S.A. |
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Abstract: | The potential energy distributions and normal coordinates (L?1 matrices) for twelve methyl halides, CH3X, CH2DX, CD2HX and CD3X (X = Cl, Br, I) have been calculated from known structural data. General harmonic force fields for methyl chloride, bromide and iodide previously determined from the most complete available isotopic frequency, Coriolis and centrifugal distortion data were used. The vibrational modes of these molecules are compared and discussed. |
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