Microwave spectrum, barrier to internal rotation, and dipole moment of methyl selenocyanate.
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概要
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Microwave rotational spectra of five isotopic species of methyl selenocyanate (CH<SUB>3</SUB>SeCN with <SUP>82</SUP>Se, <SUP>80</SUP>Se, <SUP>78</SUP>Se, <SUP>77</SUP>Se, and <SUP>76</SUP>Se) in the ground vibrational state, and two isotopic species of methyl selenocyanate-<I>d</I><SUB>3</SUB> (CD<SUB>3</SUB>SeCN with <SUP>80</SUP>Se and <SUP>78</SUP>Se) in the ground and first excited states of the methyl torsional mode have been assigned in the 8.0 to 35.5 GHz frequency range. For the most abundant species in the ground vibrational state, the rotational constants determined are <I>A</I><SUB>A</SUB>=10147±2, <I>B</I><SUB>A</SUB>=3483.57±0.04, and <I>C</I>=2631.58±0.04 MHz for CH<SUB>3</SUB><SUP>80</SUP>SeCN and <I>A</I>=8322.57±0.81, <I>B</I>=3308.06±0.02, and <I>C</I>=2436.92±0.01 MHz for CD<SUB>3</SUB><SUP>80</SUP>SeCN. The A-E splittings due to the methyl internal rotation were observed for the rotational transitions in the ground vibrational state for the normal species and in the first excited state of the methyl torsional mode for the deuterated species. Analysis of the splittings gave a barrier height to the methyl internal rotation of 1241±50 and 1228±50 cal/mol for the CH<SUB>3</SUB> and CD<SUB>3</SUB> species, respectively. Stark measurements yielded the principal axis dipole moments of μ<SUB>a</SUB>=4.35±0.04, μ<SUB>b</SUB>=0.76±0.10, and the total dipole moment of μ=4.42±0.05 D for CH<SUB>3</SUB><SUP>80</SUP>SeCN, and μ<SUB>a</SUB>=4.31±0.04, μ<SUB>b</SUB>=0.67±0.07, and μ=4.36±0.04 D for CD<SUB>3</SUB><SUP>80</SUP>SeCN. The direction of the dipole moment in the molecule is discussed.
- 公益社団法人 日本化学会の論文
著者
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Yamaguchi Ichiro
Department Of Clinical Laboratory Yamagata University School Of Medicine
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Sakaizumi Takeshi
Department Of Chemistry Faculty Of Science Shizuoka University
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Ohashi Osamu
Department Of Chemistry Faculty Of Science And Technology Sophia University
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Kohri Yoshio
Department of Chemistry, Faculty of Science and Technology, Sophia University
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