几种环状分子的拉曼光谱研究

通过实际检测获得了环己烷、四氢呋喃、1,4-二氧己环（二恶烷）几种环状分子的拉曼光谱。并应用密度泛函理论对几种环状分子的拉曼振动峰进行了详细的分析。研究结果表明：几种环状分子最强拉曼振动峰均由环呼吸运动引起,但它们的波数值差异较大,可以作为鉴定此类分子的判断依据。应用拉曼光谱检测技术可以对此类有毒物质进行快速的鉴定与分析。

Study on Several Cyclic Molecules by Raman Spectrum

The Raman spectra of several cyclic molecules included cyclohexane,tetrahydrofuran and 1,4-dioxane were obtained by experimental detection.The Raman vibration peaks of cyclic molecules were analyzed carefully by density functional theory.The strongest Raman vibration peak was usually attributed to the ring breathing vibration,and their wavenumbers were different with each other,that could be used as the identification basis.The cyclic molecules which were toxic could be real-time rapidly identified by Raman spectroscopy technique.