1 徐州师范大学 物理与电子工程学院, 江苏 徐州 221116
2 南京理工大学 理学院,南京 210094
利用含时密度泛函理论分别计算了乙醇分子、水分子、以及乙醇和水形成的新团簇分子的基态和激发态能级，得出了各自吸收光能量和光波长的理论极限值；利用分析化学的理论分析了链式的乙醇-水团簇分子的特殊结构，得到了基态团簇分子间形成碰撞复合物的结论；利用量子力学的态叠加原理和量子化学的轨道理论，并结合Hckel近似对该复合物的能级和对应波函数进行了计算和推导，从而解释了乙醇-水溶液能吸收较长波长的光并发射荧光的机理.
荧光光谱 电子能级结构 分子结构 乙醇-水团簇分子 Fluorescent spectrum Electron energy level Molecular structure Ethanol-water cluster
Author Affiliations
Abstract
1 College of Physics &
2 Electronic Engineering, Xuzhou Normal University, Xuzhou 221116
3 College of Science, Nanjing University of Science &
The fluorescent spectrum and the excitation spectrum were used to present the cluster molecular structure feature in ethanol-water solutions. Through analyzing the fluorescent characteristics of an excimer, it is proposed that the excimers are formed between the ethanol-water cluster molecules in the excited state and in the ground state. The fluorescent lifetime and the fluorescent intensity decay process give information about the photo-physical and photo-chemical processes of the formation and the dissociation of an excimer. The theoretical calculation and physical analysis coincide with the experimental results. The preliminary conclusion about the structure feature of ethanol-water cluster molecule is that it has a planar one like a sandwich.
荧光光谱 荧光寿命 激基缔合物 乙醇-水团簇 300.6280 Spectroscopy, fluorescence and luminescence 300.6500 Spectroscopy, time-resolved 300.6540 Spectroscopy, ultraviolet Chinese Optics Letters
2008, 6(2): 02154
1 徐州师范大学,物理系,江苏,徐州,221116
2 南京理工大学,理学院,南京,210094
研究了紫外光照射乙醇-水混合溶液的稳态和时间分辨荧光光谱.通过检测其荧光光谱和激发光谱,得到了稳态发射光谱的三个荧光峰,峰值分别位于290 nm、305 nm、330 nm,相应的最佳激励光分别为265 nm,280 nm和236 nm.在荧光光谱峰值波长处分别监测其荧光强度随时间的衰变过程,将获得的荧光衰减动力学曲线采用指数拟合并进行解卷积处理获得不同荧光光子的寿命值.乙醇-水溶液稳态光谱的特点和三个不同的荧光寿命都表明了溶液中含有三个不同的生色团,分析认为乙醇和水分子间通过氢键作用形成了不同结构的团簇分子.
荧光光谱 荧光寿命 荧光量子产率 乙醇-水团簇分子 Fluorescent spectrum Fluorescence time Quantum yield Ethanol-water cluster
