对苯醌络合物对费米共振的影响

费米共振现象不仅存在于简单化合物中，复杂的络合物振动光谱中同样存在。简单化合物“加和”形成络合物，分子间某些基团的特性也随之改变，分子光谱就会产生明显的变化。在一定条件下，对苯醌与脯氨酸能够形成电子转移络合物，但其拉曼光谱强度比较小，采用Teflon液芯光纤可以获得高质量的共振拉曼光谱。实验分别获得了对苯醌和其络合物的拉曼光谱图，利用J.F.Bertran量子力学微扰理论，对分子的费米共振特性进行分析。结果表明，络合物的形成使得CO键的费米共振峰向高波数方向移动，拉曼光谱强度比减小，频率间隔增大，耦合系数增大。这种变化的原因解释为，混合溶液中，脯氨酸作为给体，苯醌作为受体，脯氨酸中的N原子上的非成键电子转移到对苯醌的π反键轨道上形成了n—π*电子转移络合物，使分子的振动能级发生了变化。这些分析为研究大分子、络合物以及聚合物的谱线认证、归属提供了新的思路和线索。

The Effects of Complex of Benzoquinone on Fermi Resonance

Fermi resonance phenomenon exists in simple compounds and it also widely exists in vibration spectra of complex. The complex can be formed by adding up simple compounds. As a result, the characteristic parameters of some parts of molecule will make changes, and the molecular spectra have a significant change along with it. Benzoquinone and proline in the solution form charge-transfer complex under certain conditions, but the spectra intensity is weak, our research uses Teflon liquid-core optical fiber technology to gain high quality resonance Raman spectra. We acquire Raman spectra of Benzoquinone and its complex in experiments, and analyze the characteristic parameters of Fermi resonance according to J. F. Bertran quantum theory. The results shows that, because of the formation of complex, Fermi resonance peak of CO bond shifts to high wavelength, the spectra intensity decreases, the frequency space increases, the coupling coefficient increases. The explanation is that, in the solution of complex, proline is donor, while benzoquinone is acceptor, the non-bonding electron of N atom which is belong to proline transfers to the π anti-bonding orbital of benzoquinone, then n—π* charge transfer complex is produced. That causes the change of molecular energy level, changes the Raman spectra. All these researches provide new idea and clue for spectral line certification and attribution of complex molecules, complexes and polymer.