费米共振现象广泛存在于分子的振动光谱中, 如红外光谱、 拉曼光谱等。 变换浓度方法是光谱分析的一种主要手段。 文章中测量了二硫化碳(CS2)在四氢呋喃(THF)中不同浓度下的拉曼光谱, 引入Bertran理论分析研究ν1-2ν2费米共振现象随浓度的变化规律。 研究表明, 随着二硫化碳体积浓度的降低, 溶液中的费米共振特性参数(如光谱强度比、 频率间隔、 耦合系数、 非谐力常数)将随溶剂效应的影响发生明显的变化。 例如, 光谱强度比逐渐减小, 耦合系数逐渐增加等。 这些变化不仅受到溶液散射系数的影响, 更重要的是弱氢键的形成对振动光谱的影响。 光谱图中还出现了拉曼谱线的非对称移动, 基频ν1基本没有发生频移, 倍频2ν2却逐渐向高波数方向移动, 这与理论上的对称移动不相符。 通过对分子间微观作用的研究, 弱氢键的作用机理可以很好的解释这种现象。 这些分析对于进一步研究溶剂效应对费米共振的影响意义重大, 对于溶液中的分子振动光谱研究更加具有参考价值。

In the present paper, an innovative experiment was done. The authors measured the Raman spectra of CS2 mixed with THF at different volume fractions. According to the J. F. Bertran theory, we analyzed the changing regularity of ν1-2ν2 Fermi resonance along with the different concentration. It was shown that the characteristic parameters of Fermi resonance in solution, such as spectra intensity, frequency space, coupling coefficient and anharmonic constant, will make changes along with solution concentration variation. Because of the existing of solvent effects, the spectra intensity decreases gradually, and the coupling coefficient increases gradually. The explanation of such changes is that the vibration spectra are affected not only by scattering coefficient, but also by more weak hydrogen bonds formation. In addition, the asymmetric frequency shift of the Raman spectra was also found in the paper. The fundamental frequency ν1 basically has no shifts, but the overtone frequency 2ν2 moves towards the high wave number gradually, which is inconsistent with the theory of symmetrical movement. According to the study of molecular microcosmic action, the formation and mechanism of the weak hydrogen bond can preferably explain the above phenomenon. The research has a major influence on the further study of solvent effects in Fermi resonance. And the paper will also provide certain reference value for the study of molecule vibration spectra in solution.