Molecular Vibrations and Force Fields of Dimethyl Selenide and Dimethyl Selenide-d<SUB>6</SUB>

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概要

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• A set of the modified Urey-Bradley force constants and of the local symmetry force constants of dimethyl selenide have been calculated by a least-squares technique, using the vibrational frequencies of the two isotopic species, (CH<SUB>3</SUB>)<SUB>2</SUB>Se and (CD<SUB>3</SUB>)<SUB>2</SUB>Se. The calculated frequencies thus obtained are in good agreement with the observed values. Comparison has been made for the force constants among dimethyl ether, dimethyl sulfide, and dimethyl selenide. This has shown the reasonable relation to be expected among the force constant, the bond length, the bond angle, and the atomic number of the central atom. The centrifugal distortion constants, which were calculated from the two sets of force constants, were then compared with those obtained from the microwave spectra; their values are found to be consistent with those obtained from a microwave study in a three-body approximation.

• 公益社団法人 日本化学会の論文

著者

• Hayashi Michiro

  Department of Chemistry, Faculty of Science, Hiroshima University

• Murata Hiromu

  Department of Chemistry, Faculty of Science, Hiroshima University

• Ohsaku Masaru

  Department of Chemistry, Faculty of Science, Hiroshima University

• Shiro Yuji

  Department of Chemistry, Faculty of Science, Hiroshima University

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