Molecular structure of phosgene as studied by gas electron diffraction and microwave spectroscopy: The rz structure and isotope effect |
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Authors: | Munetaka Nakata Kunio Kohata Tsutomu Fukuyama Kozo Kuchitsu |
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Affiliation: | Department of Chemistry, Faculty of Science, The University of Tokyo, Bunkyo-ku, Tokyo 113 Japan |
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Abstract: | The rz structure of phosgene has been determined by a joint analysis of the electron diffraction intensity and the rotational constants as follows: , , ∠z;ClCCl = 111.83 ± 0.11°, where uncertainties represent estimated limits of experimental error. The effective constants representing bond-stretching anharmonicity have been obtained from an analysis of the isotopic differences in the rz structure: , . The equilibrium bond distances have been estimated from the rz structure for the normal species and from the anharmonic constants to be , . |
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