Molecular structure of bromoform as determined by a joint analysis of electron diffraction and microwave data.

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概要

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• The gas phase molecular structure of bromoform has been studied by electron diffraction. By a joint analysis of the diffraction results and the moments of inertia for CH<SUP>79</SUP>Br<SUB>3</SUB>, CD<SUP>79</SUP>Br<SUB>3</SUB>, CH<SUP>81</SUP>Br<SUB>3</SUB>, and CD<SUP>81</SUP>Br<SUB>3</SUB> obtained by Williams <I>et al.</I>, the bond distances in <I>r</I><SUB>g</SUB> and the bond angles in \varphi<SUB>av</SUB> have been determined as follows: <I>r</I><SUB>g</SUB>(C–Br)=1.924±0.005 Å, <I>r</I><SUB>g</SUB>(Br…Br)=3.175±0.003 Å, <I>r</I><SUB>g</SUB>(C–H)=1.11<SUB>1</SUB>±0.04<SUB>6</SUB> Å, \varphi<SUB>av</SUB>(BrCBr)=111.7±0.4°, and \varphi<SUB>av</SUB>(HCBr)=107.2±0.5°. The uncertainties represent the estimated limits of error. The anharmonicity parameter of the Morse-type potential, <I>a</I><SUB>3</SUB>, for the nonbonded Br…Br atom pair has been estimated as −1.3±0.9 Å<SUP>−1</SUP>.

• 公益社団法人 日本化学会の論文

著者

• Kimura Masao

  Department of Chemistry Nagoya University

• Tamagawa Koichi

  Department of Chemistry, Faculty of Science, Hokkaido University

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