化学
四极
转动惯量
微波食品加热
谱线
原子物理学
旋转光谱学
核磁共振
耦合常数
分析化学(期刊)
物理
分子
量子力学
有机化学
色谱法
作者
Jens‐Uwe Grabow,H. Hartwig,N. Heineking,Wolfgang Jäger,H. Mäder,H.‐W. Nicolaisen,Wolfgang Stahl
标识
DOI:10.1016/s0022-2860(02)00144-8
摘要
The microwave spectrum of 2-methylthiazole has been investigated in the frequency range from 7 to 13 GHz. Rotational spectra in the two lowest states of internal methyl rotation (m=0,±1) were measured using a pulsed molecular beam Fourier transform microwave spectrometer. The analysis of the spectra was based on a rigid frame–rigid symmetric top Hamiltonian with inclusion of first order energy contributions from 14N-nuclear quadrupole coupling, yielding the rotational constants A=5343.883(74)MHz, B=3265.914(54)MHz, C=2052.252(51)MHz, the threefold barrier to internal rotation V3=34.938(20)cm−1, the moment of inertia of the methyl group Iα=3.1651(20)uÅ2, the angle between internal rotor axis i and inertial a-axis ∠(i,a)=4.462(1)°, and the nitrogen quadrupole coupling constants χ+=χbb+χcc=−0.5239(15)MHz, χ−=χbb−χcc=−5.3030(25)MHz and |χab|=2.2791(137)MHz. The results from this investigation are compared with results from previous microwave studies on 4- and 5-methylthiazole and 2-, 4- and 5-methyloxazole.
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