Force constants from intensity analysis of molecules CH3Cl and CD3Cl |
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Authors: | V Dayanand K Ravindranath N Rajeswara Rao |
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Institution: | (1) Department of Physics, Osmania University, 500 029 Hyderabad, India;(2) Present address: 3-6-416/2, Himayatnagar, Hyderabad, India |
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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. |
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Keywords: | Force constants intensity analysis methyl chlorides |
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