Graduate Thesis Or Dissertation
 

Application of the least squares criterion to the determination of molecular compliance constants

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https://ir.library.oregonstate.edu/concern/graduate_thesis_or_dissertations/pr76f565v

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  • The development of a least squares model for the determination of compliance constants from various combinations of vibration frequency, mean square amplitudes of vibration and centrifugal distortion data is discussed. The resultant model is applied to frequency and mean square amplitude data for NO₂ and N₂O₄ and to frequency and centrifugal distortion data for SO₂ . For NO₂ and SO₂ it was possible to use various combinations of data and weight matrices so that some statements could be made regarding the utility of the model. A recently developed theory concerning the anharmonicity effect due to the presence of the low frequency torsion made in X₂Y₄ type molecules was applied to N₂O₄ giving results which point to a plausible explanation for some of the unusual bands observed for this type molecule.
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