The microwave spectrum,harmonic force field,and structure of difluorodichloromethane |
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Authors: | RWellington Davis MCL Gerry CJ Marsden |
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Institution: | Department of Chemistry, The University of British Columbia, 2036 Main Mall, Vancouver, British Columbia, Canada V6T 1Y6;Department of Chemistry, The University of Melbourne, Parkville, Victoria 3052, Australia |
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Abstract: | Very large numbers of rotational transitions have been accurately measured for 12CF235Cl2, 12CF235Cl37Cl, and 13CF235Cl2, and have been analyzed for rotational constants and quartic centrifugal distortion constants. The distortion constants have been combined with vibrational wavenumbers (both from the literature and from the present work), and with ab initio force constants also evaluated in the present work, to give an approximate harmonic force field. The rotational constants and force field have been used to evaluate ground state effective, substitution, and ground state average structures for the molecule. |
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