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Force constants from intensity analysis of molecules CH3Cl and CD3Cl
Authors:V Dayanand  K Ravindranath  N Rajeswara Rao
Institution:(1) Department of Physics, Osmania University, 500 029 Hyderabad, India;(2) Present address: 3-6-416/2, Himayatnagar, Hyderabad, India
Abstract:The secular equation (GF - Eλ)L = 0 contains more force constants than can be calculated from the equations formulated using the frequencies. For a 3 × 3 matrix, there are 6 force constants but only 3 frequencies. Attempts were made by others to estimate all the 6 constants to satisfy the frequencies and Coriolis constants and rotation distortion constants. However, many attempts are not made in these estimations to satisfy the intensities. A full complement of equations is derived to evaluate all the force constants combining the intensity equationsI =L’A withLL’ =G and evaluated the force constants ofA 1 species of CH3Cl and CD3Cl. A simple analysis of a 2 × 2 matrix shows thatF 12/F 22=G 12 −1 /G 22 −1 as reported earlier.
Keywords:Force constants  intensity analysis  methyl chlorides
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