INTERPRETATION OF THE INFRARED INTENSITIES OF METHYL HALIDES

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1974

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Ohio State University

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The Infrared intensity results for methyl halides1 have been analyzed to obtain the polar tensors2 for the halogen and hydrogen atoms. The elements of the polar tensor are found to vary systematically from one molecule to another. The errors from the intensity measurements have been propagated to deduce the errors in the polar tensor elements. The results are compared with polar tensors calculated by the CNDO/2 approximate quantum-mechanical procedure.

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1J. W. Russell, C. D. Needham, and J. Overend, J. Chem. Phys. 45, 3383 (1966). 2(a) W. B. Person and J. H. Newton, J. Chem. Phys., to be published, 1974; (b) see also J. F. Biarge, J. Herranz, and J. Morcillo, Anales real Soc. espan. Fis. Y Quim. A57, 81 (1961).


Author Institution: Department of Chemistry, University of Florida

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http://hdl.handle.net/1811/16465

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Abstracts of OSU International Symposium on Molecular Spectroscopy 1970-1979