The molecular structure of trimethylamine-borane as studied from gas electron diffraction and spectroscopic data.

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概要

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• The molecular structure of trimethylamine–borane (CH<SUB>3</SUB>)<SUB>3</SUB>N·BH<SUB>3</SUB> has been determined from gas electron-diffraction data with spectroscopic data. The molecular parameter values and their uncertainties are <I>r</I><SUB>g</SUB>(B–H)=1.261±0.006 Å, <I>r</I><SUB>g</SUB>(N–B)=1.656±0.002 Å, <I>r</I><SUB>g</SUB>(C–N)=1.485±0.001 Å, <I>r</I><SUB>g</SUB>(C–H)=1.108±0.002 Å, ∠HBH=112.8±0.4°, and ∠CNC=109.2±0.2°. The potential barrier around the N–B bond has been estimated to be larger than 5 kcal mol<SUP>−1</SUP> (1 cal=4.183 J). The isotope effects on the B–D bond distance and the DBD angle have also been estimated to be −0.006 Å and 0.4°, respectively, in <I>r</I><SUB>α</SUB><SUP>0</SUP> parameters.

• 公益社団法人 日本化学会の論文

著者

• Shibata Shuzo

  Department Of Chemistry Faculty Of Science Shizuoka University

• Iijima Kinya

  Department of Applied Chemistry, Faculty of Engineering, Yamanashi University

• Adachi Nobuhiro

  Department of Chemistry, Faculty of Science, Shizuoka University

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