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The Submillimeter Wave Spectrum of Isotopic Methyl Cyanide

机译:同位素甲基氰化物的亚毫米波谱

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The laboratory submillimeter wave rotational spectrum of the 13CH3CN, CH313CN, and CH3C15N isotopomers of methyl cyanide has been observed in natural abundance in the 294 to 607 GHz region. The maximum J and K values are 34 and 14, respectively. Fifteen additional CH3CN transitions up to K = 21 were also measured. The transitions of all four species are fitted to a symmetric top Hamiltonian, and the rotation and distortion constants are determined. The 14N quadrupole and spin rotation coupling constants are also calculated and presented. Suggested values for many other parameters, which could not be directly determined from the isotope spectra, are calculated from the normal species values and isotope relationships. The determined and calculated constants should predict the spectrum of the three isotopomers to well over 1 THz accurately enough for astronomical assignments.
机译:已在294至607 GHz区域内以自然丰度观察到了甲基氰化物的13CH3CN,CH313CN和CH3C15N同位素异构体的实验室亚毫米波旋转光谱。最大J和K值分别为34和14。还测量了另外15个直至K = 21的CH3CN跃迁。将所有四个种类的跃迁拟合到对称的顶部哈密顿量,并确定旋转和变形常数。还计算并给出了14N四极和自旋旋转耦合常数。无法从同位素光谱直接确定的许多其他参数的建议值是根据正常物种值和同位素关系计算得出的。所确定和计算的常数应能准确地预测出三种同分异构体的光谱,其精确度远超过1 THz,足以进行天文分配。

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