Vibrational spectra and rotational isomerism of 2-chloro- and 2-bromoethyl methyl sulfides.

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概要

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• The Raman and infrared spectra of 2-chloro- and 2-bromoethyl methyl sulfides CH<SUB>3</SUB>SCH<SUB>2</SUB>CH<SUB>2</SUB>X (X=Cl and Br) were measured for the liquid and crystalline solid states. The vibrational frequencies of these molecules were calculated by the use of the force constants transferred from unbranched alkyl sulfides and alkyl halides. The rotational isomerism was studied on the basis of the spectral observations and the calculations, and the following conclusions were obtained. (1) In the crystalline solid state, both the chloride and the bromide take the molecular form with the <I>gauche</I> conformation about the (C)S–C(C) axis and the <I>trans</I> conformation about the (S)C–C(X) axis. (2) In addition to this form (GT), three other forms (TG, GG, and TT) coexist in the liquid state, the GT form being the most stable. (3) The sulfur atom is suggested to lower the energy of the <I>trans</I> conformation of the (S)C–C(X) axis.

• 公益社団法人 日本化学会の論文

著者

• Matsuura Hiroatsu

  Department Of Chemistry Faculty Of Science Hiroshima University

• Murata Hiromu

  Department of Chemistry, Faculty of Science, Hiroshima University

• Miyauchi Nobuyuki

  Department of Chemistry, Faculty of Science, Hiroshima University

• Sakakibara Masaaki

  Faculty of General Education, Tottori University

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