The vibrational spectra and rotational isomerism of chloro(chloromethyl)silanes.

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概要

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• The infrared spectra of chloro(chloromethyl)methylsilanes ClCH<SUB>2</SUB>SiCl<SUB>3−<I>n</I></SUB>(CH<SUB>3</SUB>)<I><SUB>n</SUB></I> (<I>n</I>=0–2) in the liquid and crystalline states and a part of the Raman spectra in the liquid state have been measured. It has become apparent that, for ClCH<SUB>2</SUB>SiCl<SUB>2</SUB>CH<SUB>3</SUB> and ClCH<SUB>2</SUB>SiCl(CH<SUB>3</SUB>)<SUB>2</SUB>, two rotational isomers coexist in the liquid state, while only one isomer persists in the crystalline state. The fundamental vibrations for these molecules have been assigned, and the normal vibrations have been calculated on the basis of a modified Urey-Bradley force field. The solvent effects and the calculation of the normal vibrations have indicated that the <I>gauche</I> form for ClCH<SUB>2</SUB>SiCl<SUB>2</SUB>CH<SUB>3</SUB> and the <I>trans</I> form for ClCH<SUB>2</SUB>SiCl(CH<SUB>3</SUB>)<SUB>2</SUB> persist in the crystalline state. For ClCH<SUB>2</SUB>SiCl<SUB>3</SUB>, the barrier height, <I>V</I><SUB>3</SUB>(SiCl<SUB>3</SUB>), has been estimated to be 4.6 kcal/mol from the torsional force constant.

• 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

• Suehiro Keigo

  Department of Chemistry, Faculty of Science, Hiroshima University

• Sera Keiichi

  Department of Chemistry, Faculty of Science, Hiroshima University

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