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The analysis of the microwave absorption spectrum of trans-ethyl methyl ether in the skeletal torsion v30 = 2 state
Journal of Molecular Spectroscopy ( IF 1.4 ) Pub Date : 2021-03-14 , DOI: 10.1016/j.jms.2021.111443
Kaori Kobayashi , Shozo Tsunekawa , Nobukimi Ohashi

The microwave absorption spectrum of the trans-ethyl methyl ether in the skeletal torsional v30 = 2 state was analyzed for the first time. The trans-ethyl methyl ether molecule has two inequivalent methyl group internal rotors. Splitting due to the methyl group connected to the oxygen was dominant and observed in the v30 = 2 state. This result was supported by considering the torsional force field in the same way as in the ground and the v30 = 1 states. Over 800 lines up to J = 55 and Ka = 6 were assigned. The spectrum was analyzed using an IAM-like matrix formulation. Three rotational constants, eight centrifugal distortion constants, and four O-CH3 internal rotation tunneling parameters were determined for the v30 = 2 state. It was also made clear in the present analysis that the tunneling parameter dominant concerning the splitting due to the O-CH3 internal rotation has the same sign as that of the v30 = 1 state, and the sign opposite to that of the ground state.



中文翻译:

骨架扭转v 30  = 2状态下甲乙醚的微波吸收光谱分析

 首次分析了骨架扭转v 30 = 2状态下反式-甲基甲醚的微波吸收光谱。的反式-乙基甲基醚分子具有两个不等价的甲基内部转子。由于与氧连接的甲基而引起的分裂占主导,并在v 30  = 2状态下观察到。通过以与地面和v 30  = 1状态相同的方式考虑扭转力场来支持该结果。超过800行,直到J  = 55和K a = 6被分配。使用类IAM的基质配方分析光谱。对于v 30  = 2状态,确定了三个旋转常数,八个离心变形常数和四个O-CH 3内部旋转隧穿参数。在本分析中还明确指出,与O-CH 3内旋引起的分裂有关的隧穿参数优势与v 30  = 1状态具有相同的符号,与基态具有相反的符号。 。

更新日期:2021-03-27
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