拉伸到大核间距的分子离子谐波辐射谱上复杂干涉结构的物理起源

通过数值和解析的方法研究了拉伸到大核间距的分子离子的高次谐波辐射,重点研究了与短轨道贡献相关的谐波辐射谱的精细结构.研究结果表明,大核间距分子离子的短轨道谐波辐射谱呈现了复杂的干涉结构.通过利用一个考虑了电荷共振效应的强场近似模型,可以分辨这些复杂的干涉结构的物理起源:谐波辐射谱上一些干涉最小来源于电离过程中的两中心干涉效应,而另外一些干涉最小来源于再结合过程中的两中心干涉效应,电离干涉最小与再结合干涉最小交替出现.与电离过程不同,再结合过程中,库仑加速会显著改变再结合电子的德布罗意波长,从而改变干涉最小的位置.     

New tetraphenylpyridinium-baseci luminogens with aggregation-induced emission characteristics

The research on aggregation-induced emission （AIE） has drawn increasing interests in the past decade. With the efforts scientists paid, a variety of AIE systems have been developed, among which the tetraphenylethelene and silole derivatives are the most studied. Development of new AIE systems could further enrich the AIE molecules and promote the development of AIE area. In this communication, we prepared a new AIE system based on 1,2,4,6-tetraphenylpyridinium ions according to the restriction of intramolecular rotation mechanism. These molecules could be facilely synthesized via one-step and one-pot reaction. The ionic AIE-active molecules could find wide application in sensing and optoelectronic areas.     

丙烯聚合催化剂载体中碳对镁含量分析的影响

采用ICP-MS以无水氯化镁、碳镁摩尔为5~8:1的氯化镁醇合物丙烯聚合催化剂载体和碳镁摩尔比为12:1的六乙醇合氯化镁为对象,分别在普通模式、He模式下采用外标曲线加内标校正法和He模式下标准加入法测定其中的镁含量,并取几个典型样品采用ICP-OES进行镁含量测定。考察了采用ICP-MS测定丙烯聚合催化剂载体中镁含量时碳可能产生的影响。实验结果表明,对于碳镁摩尔比从5~8∶1到12∶1样品,碳对镁含量分析的影响均很小,其镁含量均可以在普通模式下采用外标曲线加内标校正法进行快速、简单、准确的测定。     

用能量自洽法研究双原子分子离子XY+的五阶解析势能函数

将用于研究双原子分子离子XY⁺解析势能函数的能量自洽法(energy consistent method for ion XY⁺,ECMI)从三阶推广到五阶,并将双原子分子离子XY⁺的三阶解析势能函数ECMI(3)推广为五阶的解析势能函数ECMI(5),研究CO⁺的B²Σ⁺态和SO⁺的b⁴Σ^-态的解析势能函数.结果表明,CO⁺的B²Σ⁺态和SO⁺的b⁴Σ^-态的新解析势能函数ECMI(5)势与基于实验的RKR数据符合得很好,优于常用的中性双原子分子势能函数Morse势、HMS势和双原子分子离子XY⁺的ECMI(3)势在这两个离子状态下的表现.不仅如此,ECMI势给出了对原子分子碰撞等诸多研究非常重要的正确理解极限和全程势能数据.     

利用HIRFL-CSR开展分子离子复合离解研究的可行性分析

介绍了储存环高精度分子谱学研究的科学意义、 国内外研究现状和利用HIRFL-CSR开展该项研究的优势, 着重论证了HIRFL-CSR分子离子注入实验环的总体设计方案和技术方案。 通过在HIRFL-CSR实验环上增建一条分子离子注入线, 将实验环改造成能兼顾现有物理实验和大分子物理研究的综合性研究平台, 为分子离子复合离解研究提供良好的技术支撑。 特别是质量数大于70的分子离子, 能显著提高其能量分辨。 In the present paper, it is introduced the scientific background and the current status of the high precision spectroscopy of the molecular ions at cooler storage ring. The advantages to study the dissociative recombination(DR) processes using cooler storage ring CSRe are discussed. The physics design,the main parameters of the injection beam line and the injection of the molecular ions into the CSRe and the key techniques are described in detail. With a new injection beam line,HIRFL-CSRe will be reconstructed to a multi discipline research platform,offering good opportunities for the study of DR processes of molecular ions,especially for that of the molecular ions of m>70 amu with much improved resolution.     

基于超分子离子晶体的湿度传感构效关系研究

相对湿度是许多领域的关键参数,环境湿度与人们的生活密切相关,因此对湿度进行测量和控制是各个领域中值得关注的问题之一. 在前期的研究中,作者制备了一种新型的超分子离子材料（SIM）,它是由基于咪唑的双阳离子（如1,10-双（3-甲基咪唑-1-基）癸烷,C₁₀(mim)₂）和电活性二阴离子（如2,2'-连氮基-双（3-乙基苯并噻唑啉-6-磺酸）,ABTS）组成的,发现其对湿度具有敏感且快速的响应. 在此基础上,本文制备了6种不同碳链（C₄,C₆,C₈,C₁₀,C₁₂,C₁₄）的咪唑基化合物,发现其中3种（C₁₀,C₁₂,C₁₄）可与ABTS形成水稳定的SIM. 循环伏安法、计时电流法以及石英晶体微量天平表征了这些超分子离子材料的湿度传感性能,发现基于C12的SIM具有最佳的湿度传感性能. 同时,SEM结果显示随着碳链的增加,离子材料的厚度变薄并且形态变得不规则. 因此,作者认为疏水作用和材料比表面积均会影响湿度传感的灵敏度. 本研究为发展新的湿度响应的离子传感材料奠定了基础.     

Interferences in Photodetachment of a Negative Molecular Ion

The photodetachment of a negative molecular ion is studied theoretically using a two-center model. The detached electron wave function is obtained as a superposition of two coherent waves originating from each center. The photo-detached electron flux is evaluated on a screen placed at a large distance from the negative molecular ion. The electron flux on the screen displays strong interferences, the peak positions are related to the distance between the two centers in the negative molecular ion. We a/so obtained a simple analytical formula for the total photodetachment cross section. It approaches one and two times of the cross section for the one-center system in the high and lowphoton energy limits respectively.     

利用快分子离子与固体的相互作用对H2+,HD+和D+2结构的研究

利用快分子离子与固体的相互作用,依靠一套高分辨装置,测量了H2+,HD+和D2+的结构,得到其核间距分别为1.19±0.003 nm、1.25±0.003 nm和1.32±0.003 nm.通过对比,证实了分子离子结构中同位素效应的存在,分析了实验值和理论值存在差别的原因,讨论了实验结果中同位素效应产生的缘由.     

氧分子离子第一负带系（b^4∑g^——α^4Пu）（2，6）带的光谱测量与分析

采用光外差-速度调制分子离子吸收光谱技术，在近红外波段13170-13500cm^-1范围内，对氧分子离子第一负带（b^4∑g^--α^4Пu）（2，6）带进行测量和分析，有关第一负带（2,6）带光谱测量尚未见文献报道．本文简述了光外差-速度调制光谱技术的特点，同时给出了对复杂四重态跃迁谱带的分析，运用非线性最小二乘拟合获得了该跃迁上下态精确的分子常数。     

Dissociation and Coulomb Explosion of H2^4＋ in S^q＋ ＋H2 Collisions

We have investigated fragment emission from molecularions in H2^r collisions between S^q and H2 with incident energies of 12.5, 15.625, 18.75, 21.875, 25, 28.125, 31.25, 34.375, 37.5, 40.625, and 43.75 keV/u, respectively. The energy distributions of the fragments are measured by time-of-flight techniques. The experimental results show evidences for molecular Coulomb explosion and dissociation. A program[1] is estab-lished based on the Monte Carlo technique to simulate the time-of-flight spectrum of fragment ions with different initialkinetic energy in ion-Molecule collisions. Simulations are done for S^2 H2 collisions and compared with experimental results.