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http://utaipeir.lib.utaipei.edu.tw/dspace/handle/987654321/2648
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| 题名: | Reinvestigation of the microwave spectrum of 2-methylmalonaldehyde |
| 作者: | Vadim V. Ilyushina
Eugene A. Alekseev
Yung-Ching Chou
Yen-Chu Hsu
Jon T. Hougen
Frank J. Lovas
Laura B. Picraux
周永慶 |
| 贡献者: | 臺北市立教育大學自然科學系 |
| 日期: | 2008 |
| 上传时间: | 2009-07-31 15:41:33 (UTC+8) |
| 摘要: | The molecule 2-methylmalonaldehyde (2-MMA) exists in the gas phase as a six-membered hydrogen-bonded ring [HOCHC(CH3)CHO] and exhibits two large-amplitude motions, an intramolecular hydrogen transfer and a methyl torsion. The former motion is interesting because transfer of the hydrogen atom from the hydroxyl to the carbonyl group induces a tautomerization in the ring, which then triggers a 60° internal rotation of the methyl group attached to the ring. We present a new experimental study of the microwave spectra of the 2-MMA-d0 [HOCHC(CH3)CHO] and 2-MMA-d1 [DOCHC(CH3)CHO] isotopologs of the molecule. The new measurements were carried out by Fourier-transform microwave (FTMW) spectroscopy in the 8–24 GHz frequency range and by conventional absorption spectroscopy in the 49–149 GHz range. In the present work, we use a tunneling-rotational Hamiltonian based on a group-theoretical formalism to carry out global fits of 2578 2-MMA-d0 transitions and 2552 2-MMA-d1 transitions to measurement uncertainty, obtaining a root-mean-square deviation of 0.015 MHz for both isotopologs. This represents a significant improvement in fitting accuracy over past attempts. Some problems associated with calculating barrier heights from the observed tunneling splittings and assumed tunneling paths are also considered. |
| 關聯: | Journal of Molecular Spectroscopy, V251(1-2), P.56-63 |
| 显示于类别: | [應用物理暨化學學系暨碩士班] 期刊論文
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