应用连续的Passerini-氮杂Wittig反应合成了两种4H-3,1-苯并噁嗪类化合物,对合成的苯并噁嗪化合物进行拉曼光谱测试分析,用密度泛函(DFT,density functional theory)理论的B3LYP方法,选用标准的6-31G*基组对化合物的几何构型进行优化,并对其振动频率进行了量化计算.结果表明:理论计算数据经校正后与实验结果吻合,计算结果对实验数据的归属具有指导意义. Two kinds of 4H-3,1-benzoxazin compounds were synthesized by continuous Passerini-aza-Wittig reaction. The synthesized benzoxazine compounds were characterized by Raman spectroscopy and density functional theory (DFT) B3LYP method based on B3LYP theory is used to optimize the geometrical configuration of the compound using a standard 6-31G * basis set. The vibration frequency is calculated quantitatively. The results show that the theoretical calculation data are in good agreement with the experimental results, The results of the experimental data attribution is instructive.