Vibrational correction for methylamine and determination of the zero-point average structure.

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概要

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• The method of vibrational corrections for a molecule which has a large amplitude intramolecular motion has been revised and applied to the determination of the zero-point average structure of methylamine. Necessity of torsional correction for this type of molecules has been pointed out and the method has been presented. A recent result of electron diffraction was jointly used with the effective moments of inertia obtained by microwave spectroscopy by Takagi and Kojima. The structural parameters in <I>r</I><SUB>z</SUB> and \varphi<SUB>z</SUB> with the estimated limits of error in parentheses are: <I>r</I>(C–N)=1.471(3) Å, <I>r</I>(C–H)=1.101(3) Å, <I>r</I>(N–H)=1.019(6) Å, ∠HCH=108.4(5)°, ∠HNH=106.0(6)°, and ∠CNH=111.5(7)°. Deuterium isotope effects in the structural parameters were also determined.

• 公益社団法人 日本化学会の論文

著者

• Iijima Takao

  Faculty of Science, Gakushuin University

関連論文

• Vibrational correction for methylamine and determination of the zero-point average structure.

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