The microwave spectrum, structure, quadrupole coupling constants, and barrier to internal rotation of methyldichlorosilane.

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概要

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• The microwave spectra of the <SUP>35</SUP>Cl<SUB>2</SUB>, <SUP>35</SUP>Cl<SUP>37</SUP>Cl, and <SUP>37</SUP>Cl<SUB>2</SUB> isotopic species of CH<SUB>3</SUB>SiHCl<SUB>2</SUB> have been investigated in the frequency region from 12 to 40 GHz. The rotational constants and centrifugal distortion constants have been determined and were used to calculate the structure of the molecule. The structural parameters determined are:<BR>& r(Si–C)=1.850 Å, ∠C–Si–Cl=109.8°,<BR>& r(Si–Cl)=2.040 Å, ∠Cl–Si–Cl=108.8°. <BR>A few high-J R-branch transitions are split into doublets because of the methyl internal rotation. These splittings give a barrier to internal rotation of 1.69±0.05 kcal/mol. An analysis of the <SUP>35</SUP>Cl<SUB>2</SUB> quadrupole splittings leads to quadrupole coupling constants of χ<SUB>aa</SUB>=−19.1±0.3 MHz, χ<SUB>bb</SUB>=5.4±1.3 MHz, χ<SUB>cc</SUB>=13.7±1.4 MHz, χ<SUB>bond</SUB>=−41.2±2.0 MHz, and η<SUB>bond</SUB>=0.16±0.03.

• 公益社団法人 日本化学会の論文

著者

• Takeo Harutoshi

  National Chemical Laboratory for Industry

• Matsumura Chi

  National Chemical Laboratory for Industry

• Endo Kunihiko

  National Chemical Laboratory for Industry

関連論文

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• The microwave spectrum of dichlorodifluoromethane.
• Infrared spectrum of dichloroborane produced by CO2 laser enhanced reaction.
• The microwave spectra, molecular structures, and quadrupole coupling constants of methyltrichlorosilane and trichlorosilane.
• The microwave spectrum, structure, quadrupole coupling constants, and barrier to internal rotation of methyldichlorosilane.

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