摘要
应用量子力学ＣＮＤＯ／Ｓ方法对烯烃同系物紫外光谱进行研究，算出了各分子轨道的能量及相应紫外光谱吸收峰的理论位置。发现随着ｎ的增大，其能量差、紫外光谱最大吸收峰及红移均呈规律性变化，原因均为π轨道跃迁。
A detailed study by means of quantum mechanics CNDO/S on the UV spectrum of olefin hydrocarbon homologous compound has been made.The results show that the every differetion.maximal absorption peak of UV spectrum and “red movement”are charg with n of increasing and the cause is π transition.
出处
《光谱实验室》
CAS
CSCD
1998年第3期24-28,共5页
Chinese Journal of Spectroscopy Laboratory
