关于从拉曼峰强研究分子晶体及其掺杂体系相交工作的几点总结

本文总结了近年我们有关从拉曼峰强来研究分子晶体及其掺杂体系相变的工作［１－４］。文中重点强调工作出发点的思路和观点以及未来的展望．其中着重介绍拉曼峰强的指数函数行为，相交的分形观点以及掺杂的表征等。     

弯曲振动引致的过渡态的混沌

从单摆运动的特征出发 ,指出分子的过渡态 (包括解离时的态 ) ,如分子内弯曲振动引致结构变化的过渡态 ,必然伴随着混沌现象 ,而且和Chirikov的多重共振会导致混沌的观点有关 .并以从HCN、HNC和其非局域态的高激发振动态的能级拟合得到的弯曲模式的性质说明这个观点 .最后 ,提出一个处理弯曲振动引致的过渡态的混沌的物理模型 .     

Dynamical potential approach to dissociation of H--C bond in HCO highly excited vibration

The highly excited vibrational levels of HCO in the electronic ground state, \tilde {X}¹A',are employed to determine the coefficients of an algebraic Hamiltonian, by which the dynamical potential is derived and shown to be very useful for interpreting the intramolecular vibrational relaxation (IVR) which operates via the HCO bending motion. The IVR inhibits the dissociation of H atom and enhances the stochastic degree of dynamical character. This approach is from a global viewpoint on a series of levels classified by the polyad number which is a constant of motion in a certain dynamical domain. In this way, the seemingly complicated level structure shows very regular picture, dynamically.     

Global dynamical analysis of vibrational manifolds of HOCl and HOBr under anharmonicity and Fermi resonance: the dynamical potential approach

The vibrational dynamics of HOCl and HOBr between bending and OCl/OBr stretching coordinates with anharmonicity and Fermi coupling is studied with the classical dynamical potential approach. The quantal vibrational dynamics is mostly mapped out by the classical nonlinear variables such as fixed points, except for the state energies, which are quantized. This approach is global in the sense that the focus is on a set of levels instead of individual ones. The dynamics of HOBr is demonstrated to be less complicated. The localized modes along the OCl/OBr stretching coordinates are also shown to have O--Br bonds more prone to dissociation.     

NH_4NO_3掺杂Na~+、K~+、Ag~+、Pb_(2+)晶体相变拉曼峰强行为研究:掺杂效应的标度性

从掺杂晶体（Ｎａ＋、Ｋ＋、Ａｇ＋、Ｐｂ２＋）ｘ（ＮＨ４）１－ｘＮＯ３相变时，拉曼峰强与温度的变化关系着手，深入讨论了掺杂离子的效应，揭示了其中的标度性质。本文分下列章节：（１）前言、（２）实验、（３）ｌｎＩＲ与ｌｎ｜Ｔ－Ｔｃ｜之线性关系、（４）不同振动模对不同掺杂程度的反应、（５）ν１振动模对不同离子掺杂的刻画、（６）‘反转’行为、（７）ｄｃ与Ｍ１／２的线性关系、（８）掺杂效应的标度性、（９）结语     

NH4NO3掺杂Na^＋,K^＋,Ag^＋,Pb^2＋晶体相变拉曼峰强行为研究：掺杂效 …

从掺杂晶体（Ｎａ＾＋，Ｋ＾＋Ａｇ＾＋，Ｐｂ＾２＋）ｘ（ＮＨ４）１－ｘＮＯ３相变时，拉曼峰强与温度的变化关系着手，深入人了掺杂离子效应，揭示了其中的标度性质，本文分不下列算：（１）前言，（２）实验；（３）ｌｎＩｒ与Ｉｎ│Ｔ－Ｔｃ│之线性关系，（４）不同振动模对不同掺杂程度的反应；（５）ｖ１振动模对不同离子掺杂的刻画；（６）反转行为，（７）ｄｃ与Ｍ＾１／２的线性关系。（８）掺杂效应的标度性，（９）结语     

银胶中苯甲酸表面增强拉曼峰强的温度效应

本文测定了银胶中对应于苯甲酸分子不同部分振动模的表面增强拉曼峰强度随温度变化的情形。当温度上升时,表面增强拉曼峰强一般随之降低,但对不同之振动模有着不同的速率。此结果以这样的图象来解释:表面增强拉曼效应是距离(指与银胶颗粒之表面距离)的函数,并且化学与物理机制均起作用,前者为近距离效应而后者为长距离效应。文中半定量地讨论了此二机制对苯甲酸分子不同部分的增强效应的影响。