首页> 外文期刊>Journal of Molecular Spectroscopy >Rovibrational spectra of DCF_3 in the 1900 cm~(-1) region: High-resolution study of the v_3 = v_4 = 1/v_3 = 2, v_6 = 1 Fermi-interacting levels
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Rovibrational spectra of DCF_3 in the 1900 cm~(-1) region: High-resolution study of the v_3 = v_4 = 1/v_3 = 2, v_6 = 1 Fermi-interacting levels

机译:DCF_3在1900 cm〜(-1)区域内的振动光谱:v_3 = v_4 = 1 / v_3 = 2,v_6 = 1 Fermi相互作用能级的高分辨率研究

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摘要

The degenerate combination levels of E symmetry v_3 = v_4 = 1 (1900.21 cm~(-1)) and v_3 = 2, v_6 = 1 (1889.30 cm~(-1)) were investigated for the first time with high-resolution, using a Fourier-transform infrared spectrum recorded in the 1600-2000 cm~(-1) region, at a resolution of 0.0024 cm~(-1). These combination levels strongly interact through a Fermi-type anharmonic coupling, which plays an essential role in the studied system. Besides the Fermi-interaction, the other important Coriolis (Δk = ±1, Δl = ±2) and higherorder (Δk = Δl = ±2) inter-vibrational interactions were also considered, in a similar manner as in the lower v_3 + v_6/v_4 dyad [P. Pracna et al., J. Mol. Spectrosc. 259 (2010) 1-10]. The fitted wavenumbers of the rovibrational transitions of the v_3 + v_4 and 2v_3 + v_6 bands provide a set of molecular parameters which ensure an accurate reproduction of the spectrum. Moreover, these molecular parameters show good agreement with those of the lower system v_3 + v_6/v_4.
机译:E对称性的简并组合水平v_3 = v_4 = 1(1900.21 cm〜(-1))和v_3 = 2,v_6 = 1(1889.30 cm〜(-1))的首次高分辨率使用傅立叶变换红外光谱记录在1600-2000 cm〜(-1)区域,分辨率为0.0024 cm〜(-1)。这些组合水平通过费米型非谐耦合强烈相互作用,这在所研究的系统中起着至关重要的作用。除了费米相互作用外,还考虑了其​​他重要的科里奥利振动(Δk=±1,Δl=±2)和高阶振动(Δk=Δl=±2),以与较低v_3 + v_6相似的方式进行/ v_4 dyad [P. Pracna等人,分子生物学杂志(J.光谱。 259(2010)1-10]。 v_3 + v_4和2v_3 + v_6波段的振动过渡的拟合波数提供了一组分子参数,可确保光谱的准确再现。此外,这些分子参数与较低系统v_3 + v_6 / v_4的分子参数显示出良好的一致性。

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