Rotational and Rovibrational Spectroscopy of CH3NC of the Ground and 谓4 = 1 Vibrational States

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• 作者：Petr Pracna ; Jir虒i&#769 ; Urban ; Ondr虒ej Votava ; Zuzana Meltzerova虂 ; S虒te虒pa虂n Urban ; Veli-Matti Horneman ; Brian J. Drouin
• 刊名：Journal of Physical Chemistry A
• 出版年：2011
• 出版时间：February 17, 2011
• 年：2011
• 卷：115
• 期：6
• 页码：1063-1068
• 全文大小：775K
• 年卷期：v.115,no.6(February 17, 2011)
• ISSN：1520-5215

文摘

The parallel vibration鈭抮otation band 谓₄ of methyl isocyanide (CH₃NC), with a band center at 944.9 cm^鈭?, was studied by FTIR spectroscopy between 890 and 980 cm^鈭? in order to improve the ground-state rotational constants. Such improvement is essential for the scheduled studies of excited vibrational levels and their mutual anharmonic resonances occurring at higher values of the K rotational number. Ground-state combination differences generated from this band, spanning values of J/K from 0 to 85/13, were combined with rotational data from the literature and newly measured rotational transitions, extending the J/K range from 3/0 up to 31/14, and fitted simultaneously with a fully quantitative reproduction of the data. The infrared data of the 谓₄ band were analyzed together with rotational data of the 谓₄ = 1 level, spanning values of J/K from 4/0 to 14/12. The fit in the approximation of an isolated vibrational state, with the transitions perturbed by weak local resonances excluded, yields reproduction of the data within experimental uncertainties.