N—SIMPLEX方法在核磁共振参数拟合中的应用

本文介绍了N-SIMPLEX计算方法的基本思想,举例说明了该方法在NMR参数拟合中的应用。     

西洋参皂甙的核磁共振波谱研究——Ⅰ.西洋参叶中 Ocotillol型皂甙的结构分析

本文用常规一维~1H、~(13)C核磁共振波谱和远程异核化学位移相关谱。异核化学位移相关谱和同核化学位移相关谱技术研究了西洋参叶中首次分离出的一种Ocotillol型皂甙,确认了化学结构,并对其~(13)C、~1H NMR谱线进行了归属。     

中国人参的核磁共振研究Ⅰ．人参皂甙Re的二维核磁共振谱研究

用４００ＭＨｚ和５００ＭＨｚ超导核磁共振谱仪测定了具有生理活性的达玛烷型人参皂甙Ｒｅ的同核、异核二维化学位移相关谱和相敏双量子滤波二维相关谱，由此归属了人参皂甙Ｒｅ的氢谱，测定了Ｒｅ的质子偶合常数。     

尼龙6结晶和动力学的固体高分辨^13C NMR研究

用MSL—400核磁共振(NMR)波谱仪记录了尼龙6的~(13)C交叉极化魔角旋转(CP/MAS)NMR谱,发现固态下ω碳原子有两个峰,尼龙6记为ω_1和ω_2。在同一样品的~(13)C NMR溶液谱中,这两个峰合并成一个峰,证明固态尼龙6中两种晶区是共存的。在固态,ω_2峰比ω_1峰向高场偏移2.2ppm。测量了尼龙6—系列不同接触时间的CP/MAS NMR谱以研究动态行为。用SIMPLEX非线性最小二乘法拟合技术计算了交叉极化速率和质子T_(1ρ)~H用Ngai公式计算了固态尼龙6的运动参数。     

碳氟型及碳氫型乳化剂对苯乙烯及α,β,β-三氟苯乙烯乳液聚合速度的影响

用膨胀计法研究了在不同乳化剂存在下,苯乙烯及α,β,β-三氟苯乙烯的乳液聚合速 度,所用的乳化剂是:碳氟链型乳化剂H(CF_2)_nCOOK,n=6,8,10,和CF_2Cl(CFClCF_2)_3COOK及碳氢链型乳化剂H(CH_2)_nCOOK,n=8,11。在所有情况下,α,β,β-三氟苯乙烯的聚合速度都低于苯乙烯。用碳氢链羧酸盐作乳化剂时,苯乙烯与α,β,β-三氟苯乙烯的聚合速度大于用碳氟链羧酸盐作乳化剂时的聚合速度,在ω-氢全氟羧酸钾系列中,H(CF_2)_nCOOK,n=6,8,10,用n=8的羧酸钾作乳化剂时单体的聚合速度最大。     

外电场作用下平面转子Rydberg波包的演化和恢复

利用Rydberg波包分析量子力学体系的动力学行为是研究经典力学和量子力学的对应关系的一个非常重要的方法.本文主要研究了在外电场作用下平面转子的Rydberg波包的演化和恢复结构.结果表明:在弱电场作用下,波包仍可周期性的坍塌和恢复,但在强电场作用下,平面转子的Rydberg波包演化结构则与谐振子的相符.     

The closed-orbit and the photoabsorption spectra of the Rydberg hydrogen atom between two parallel metallic surfaces

Using the closed orbit theory, we study the classical motion and calculate the photoabsorption spectra of Rydberg hydrogen atom between two parallel metallic surfaces. The results show that the metallic surfaces have a significant effect on the photoabsorption process. When the distances between the hydrogen atom and the two metallic surfaces are close to a critical value d_c, the number of the closed orbits is the greatest. When the distance larger or smaller than d_c, the number of the closed orbits decreases and the absorption spectra are shown to exhibit a damping oscillation. This work is an interesting new application of closed-orbit theory and is of potential experimental interest.     

The influence of interface modifier on photodetachment of negative ions in an electric field near a metal surface

Based on closed-orbit theory,the influence of an interface modifier on the photodetachment of H- in an electric field near a metal surface is studied.It is demonstrated that the interface strengthens the oscillations in the photodetachment cross section.However,when the electric field environments are different,the strengthening oscillations are caused by different sources.When the electric field direction is upward,the interface enhances the oscillations by shortening the period and the action of the closed orbit.When the electric field direction is downward,the interface strengthens the oscillations either by extending the coherent energy range or by increasing the total number of the closed orbits.We hope that our results will be conducive to the understanding of the photodetachment process of negative ions near interfaces,cavities and ion traps.     

Photodetachment microscopy of the hydrogen negative ion in electric field near a metal surface

According to the semi-classical theory, we study the photodetachment microscopy of H^- in the electric field near a metal surface. During the photodetachment, the electron is photo-detached by a laser and the electron is drawn toward a position-sensitive detector. The electron flux distribution is measured as a function of position. Two classical paths lead the ion to any point in the classically allowed region on the detector, and waves traveling along these paths produce an interference pattern. If the metal surface perpendicular to the electric field is added, we find that the interference pattern is related not only to the electron energy and the electric-field strength, but also to the ion--surface distance. Besides, the laser polarization also has a great influence on the electron flux distribution. We present calculations predicting the interference pattern that may be seen in experiment. We hope that our study can provide a new understanding of the electron flux distribution of negative ions in external field and surface, and can guide the future experimental research on the negative ion photo-detachment microscopy.     

粒子在 Hénon-Heiles势中的逃逸动力学模拟

利用庞加莱截面和相空间轨迹方法对粒子在Hénon-Heiles势中的逃逸动力学进行了模拟.粒子的动力学性质敏感地依赖于粒子的能量.数值计算表明当能量很小时,粒子的运动是规则的;随着能量的增加,粒子的运动开始出现混沌.当能量增加到鞍点能Es时,几乎所有的相空间轨迹都是混沌的.当粒子的能量E>Es,粒子可以越过势阱发生逃逸.对于给定的大于Es的能量, 我们画出了粒子的逃逸-时间曲线和逃逸轨迹.我们的研究对于研究混沌传输和逃逸动力学具有一定的参考价值.