The molecular structure of ethyl chloride as determined by a combined use of the electron-diffraction data and the spectroscopic moments of inertia.

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概要

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• The molecular structure of ethyl chloride has been determined by a joint analysis of the electron-diffraction data and the moments of inertia obtained by Schwendeman and Jacobs by means of microwave spectroscopy. In the analysis, a staggered conformation with C<I><SUB>s</SUB></I> symmetry for the molecule and a local C<SUB>3v</SUB> symmetry about the C–C axis for the methyl group were assumed. Under the further assumptions that \varphi<SUB>av</SUB>(HCH)<SUB>CH<SUB>2</SUB></SUB> is 109.2±2° and \varphi<SUB>av</SUB>(CCH)<SUB>CH<SUB>2</SUB></SUB> is in the range of 113.6–109.6°, the following parameter values were determined: <I>r</I><SUB>g</SUB>(C–C) 1.528(4) Å; <I>r</I><SUB>g</SUB>(C–Cl), 1.802(3) Å; <I>r</I><SUB>g</SUB>(C–CI), 2.746(5) Å; <I>r</I><SUB>g</SUB>; <I>r</I><SUB>g</SUB>(C–H)<SUB>CH<SUB>2</SUB></SUB>, 1.103(4) Å; \varphi<SUB>av</SUB>(HCH)<SUB>CH<SUB>2</SUB></SUB>, 110.0(1.6)°; and \varphi<SUB>av</SUB>(CCCl), 110.7(0.3) °. The <I>r</I><SUB>g</SUB> and <I>r</I><SUB>s</SUB> distances for the C–Cl and C-C bonds of various chlorinated alkanes were plotted against the difference between the numbers of methyl groups and chlorine atoms, <I>Δn</I>=<I>n</I>(CH<SUB>3</SUB>)–<I>n</I>(Cl). In general, as the number of chlorine atoms increases, both distances become shorter, though the <I>r</I><SUB>g</SUB> distances are longer than the <I>r<SUB>s</SUB></I> distances by 0.01–0.03 Å.

• 公益社団法人 日本化学会の論文

著者

• Hirota Masashi

  Department Of Biology Faculty Of Science Kochi University

• Kimura Masao

  Department of Chemistry Nagoya University

• Iijima Takao

  Department of Applied Chemistry, Faculty of Engineering, Yokohama National University

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