n -甲基甲酰胺的微波光谱

A. Meshcheryakov, V. Ilyushin, E. Alekseev, R. A. Motienko, L. Margulès
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引用次数: 0

摘要

n -甲基甲酰胺HCONHCH3分子在45 ~ 630 GHz频率范围内的旋转光谱被记录下来。采用Rho轴法对分子的反式构象进行了分析,其中四极超精细结构在一阶微扰处理中被考虑。分析的变压器共形器数据集包含18914个J≤62的A和E跃迁,分别位于地、一、二激扭态。加权均方根偏差为0.85,实验误差内拟合。
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Microwave spectrum of N-methylformamide
Rotational spectra of the N-methylformamide HCONHCH3 molecule were recorded in the frequency range between 45 and 630 GHz. Analysis was carried out for the trans conformer of the molecule using the Rho axis method where the quadrupole hyperfine structure was taken into account in the first order of perturbation treatment. The analysed dataset for trans conformer contains 18914 A and E transitions with J ≤ 62 in the ground, first, and second excited torsional states. A fit within experimental error is achieved with weighted root-mean-square deviation of 0.85.
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