Molecular Structure of Trimethylene Sulfide as Studied by Gas Electron Diffraction with Joint Use of Rotational Constants
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概要
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The molecular structure of trimethylene sulfide (thietane) has been determined by an analysis of electron diffraction intensities combined with the rotational constants determined by microwave spectroscopy by Harris <I>et al.</I>: <I>r<SUB>g</SUB></I>(C–S)=1.847±0.002 Å, <I>r<SUB>g</SUB></I>(C–C)=1.549±0.003 Å, <I>r<SUB>g</SUB></I>(C<SUB>α</SUB>–H)=1.09±0.02 Å, <I>r<SUB>g</SUB></I>(C<SUB>β</SUB>–H)=1.12±0.04 Å, ∠C–S–C(<I>r</I><SUB>av</SUB>)=76.8±0.3°, ∠H–C<SUB>α</SUB>–H(<I>r</I><SUB>av</SUB>)=112±4°, ∠H–C<SUB>β</SUB>–H(<I>r</I><SUB>av</SUB>)=114±5° and the dihedral angle, ∠C<SUB>2</SUB>SC<SUB>4</SUB>–C<SUB>2</SUB>C<SUB>3</SUB>C<SUB>4</SUB>(<I>r</I><SUB>av</SUB>)=26±2°. The uncertainties represent estimated limits of error. The definitions of the geometrical parameters have the usual physical significance except that the normal coordinate representing the large-amplitude ring-puckering motion is extrapolated to its equilibrium position. The conventional formula used in the joint analysis has been modified to account for the large-amplitude vibration.
- 公益社団法人 日本化学会の論文
著者
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Kuchitsu Kozo
Department Of Chemistry Faculty Of Science The University Of Tokyo
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Karakida Ken-ichi
Department of Chemistry, Faculty of Science, The University of Tokyo
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