Transient spectroscopic characterization of the ring‐opening reaction of tetrahydrochromeno[2,3‐dimethyl]indole

Tetrahydrochromeno is a structural variant of spiropyran that undergoes a reversible ring‐opening to generate a colored nitrophenolate intermediate. Earlier work confirmed this intermediate through trimethylsilyl cyanide trapping under continuous irradiation. We have performed transient absorption spectroscopy to further characterize the mechanism of the ring‐opening reaction. Excitation at 355 nm produced a transient species with an absorption maximum at 445 nm, which we assign to the nitrophenolate unit of the ring‐opened product. The transient absorption decays after ~970 ns with small optical density changes corresponding to a 0.15 quantum yield. Exposure to oxygen did not exhibit a significant deleterious effect on the photoisomerization of the chromeno dye. Time‐dependent density functional theory corroborated spectroscopic assignments of the starting chromeno and the putative ring‐opened intermediate. The excited state behavior of this system parallels the structurally similar oxazine system reported by Raymo and coworkers. The one significant difference is the longer lifetime of the photochemically generated intermediate from chromeno. Copyright © 2015 John Wiley & Sons, Ltd.     

Structure and switching of single-stranded DNA tethered to a charged nanoparticle surface

Using a molecular theory, we investigate the temperature-dependent self-assembly of single-stranded DNA(ss DNA)tethered to a charged nanoparticle surface. Here the size, conformations, and charge properties of ss DNA are taken into account. The main results are as follows: i) when the temperature is lower than the critical switching temperature, the ss DNA will collapse due to the existence of electrostatic interaction between ss DNA and charged nanoparticle surface; ii)for the short ss DNA chains with the number of bases less than 10, the switching of ss DNA cannot happen, and the critical temperature does not exist; iii) when the temperature increases, the electrostatic attractive interaction between ss DNA and charged nanoparticle surface becomes weak dramatically, and ss DNA chains will stretch if the electrostatic attractive interaction is insufficient to overcome the elastic energy of ss DNA and the electrostatic repulsion energy. These findings accord well with the experimental observations. It is predicted that the switching of ss DNA will not happen if the grafting densities are too high.     

Nd∶KY(WO4)2和Nd∶KG(WO4)2晶体吸收光谱性能分析

通过研究分析钨酸盐晶体Nd∶KY(WO₄)₂和Nd∶KG(WO₄)₂在室温下的吸收光谱，发现这2种晶体具有作为激光晶体的优良特性。根据Judd-Ofelt理论和测试所得的吸收光谱及数据，用VC++编程计算出晶体的谱线强度、振子强度、吸收截面等，拟合得Nd³⁺离子的3个晶场调节参数Ω_λ(λ=2，4，6)的值，并从理论上计算了自发跃迁几率、能级寿命、荧光分支比和积分发射截面。从计算得出的荧光分支比β可以看出，Nd∶KY(WO₄)₂(β_1060nm=0.4380)和Nd∶KG(WO₄)₂(β_1060nm=0.4618)晶体荧光分支比都较大，计算了该晶体的X=Ω₄/Ω₆，并将其X值与其他晶体的X值加以比较，Nd∶KY(WO₄)₂和Nd∶KG(WO₄)₂均易于实现1.06μm激光输出，适合作为LD泵浦的钨酸盐晶体激光器。     

处理污泥焦颗粒内部孔结构在燃烧过程中变化

在管式炉反应器中进行了1种污泥定温燃烧试验,进行了5个不同燃烬率样品的液氮静态容量法等温物理吸附试验.发现不同燃烬率的污泥样品孔分布特性相似,其孔系统可能主要是由一端封闭的不透气的孔构成;随着燃烬率的增加,比表面积、平均孔径和孔体积等参数变化不同;样品颗粒内孔表面分形维数随燃烬率的增长呈先降低再升高的趋势.     

On the Evaluation of the Evolution Operator Z Reg( R 2, R 1) in the Diakonov–Petrov Approach to the Wilson Loop

We evaluate the evolution operator Z _Reg(R ₂,R ₁) introduced by Diakonov and Petrov for the definition of the Wilson loop in terms of a path integral over gauge degrees of freedom. We use the procedure suggested by Diakonov and Petrov (Physics Letters B 224 (1989) 131) and show that the evolution operator vanishes. PACS numbers: 11.10.-z; 11.15.-q; 12.38.-t; 12.38.Aw; 12.90.+b.     

二步法大景深反射全息图

以开拓反射全息图的景深表达能力为目的,从反射全息图的共轭物像关系出发,利用反射全息图的均匀介质耦合波理论和布拉格条件,对其白光再现像模糊作了具体的分析和讨论,得到色模糊和线模糊的表达式.指出反射全息图上不同各点对任意白光再现像点的色模糊和线迷糊的影响均存在差异,给出反射全息图白光再现像的景深表达式.实验利用二步法制作了一张景深为83 cm的反射全息图,与大景深彩虹全息图再现像相比,其再现像的立体感更加强烈.理论分析和实验结果表明,光源的再现角度和观察距离对反射全息图的再现像景深大小影响显著.在再现光垂直于反射全息图平面照明情况下,反射全息图具有最好的景深表达能力.     

米散射理论在新型导光板中的应用

根据米散射理论,提出了新型导光板的设计思路,计算并分析了对于一定波长的入射光,不同粒径的微粒的散射特性。总结了随着微粒粒径的变化,散射效率、消光效率与背向散射效率的变化规律,分析了散射过程中的偏振度随粒子粒径几散射角变化的情况,同时模拟计算了多个微粒对同一波长的入射光经过多次散射后的概率统计结果。     

Interaction of oxygen with 4 ? carbon nanotubes

We review our density functional study of oxygen adsorption on the outer surface of 4 ? single-wall carbon nanotubes, which have been recently synthesized using a templating method. The stability of these 4 ? tubes under ambient conditions is investigated by the nudged elastic band technique and further confirmed by the experimentally measured Raman spectra. Different adsorption pictures of singlet O₂ could be used to select a single chirality from a mixture of these ultra-small radius tubes.      

Line broadening,shifting and mixing parameters for the ν1 + ν3 band of OCS perturbed by N2 and O2

In this paper, we report measured Rosenkranz N₂- and O₂-broadening, induced pressure-shift and mixing coefficients for OCS in the ν₁ + ν₃ band, using a multi-pressure fitting technique applied to the measured shapes of the lines, including the interference effects caused by the line overlaps. These measurements were made by analysing six laboratory absorption spectra recorded at 0.004 cm^?1 resolution using the Fourier transform spectrometer Bruker IFS125HR located at the Laboratoire Interuniversitaire des Systèmes Atmosphériques, in Créteil. The spectra have been recorded in the 1850–3000 cm^?1 wave number range at 295 K, using a multipass absorption cell with an optical path of 3.249 m. The total sample pressures ranged from 5.97 to 83.28 Torr with OCS volume mixing ratios between 0.001 and 0.013 in nitrogen or oxygen. We have been able to determine the N₂- and O₂-pressure-broadening coefficients of 81 ν₁ + ν₃ transitions with rotational quantum number J up to 50. The measured N₂- and O₂-broadening coefficients range from 0.0815 ± 0.0698 to 0.1169 ± 0.1027 cm^?1 atm^?1 at 295 K, respectively. Most of the measured pressure shifts are positive. The reported N₂- and O₂-induced pressure-shift coefficients vary from about ?0.0103 ± 0.0092 to 0.0097 ± 0.0092 cm^?1 atm^?1, respectively. We have examined the dependence of the measured broadening parameters on the quantum number m (m = ?J for the P branch and m = J + 1 for the R branch) and also developed an empirical expression to describe the broadening coefficients in terms of |m|. On average, this empirical expression reproduces the measured broadening coefficients to within 2%. Using a semi-classical Robert and Bonamy formalism, the theoretical broadening coefficients have been calculated at room temperature and compared with the experimental results. The theoretical results of the broadening coefficients are in very good overall agreement with the experimental data (2%).     

Selective creation of maximum coherence in multi-level Λ system

We consider the creation of the maximum Raman coherence in the six-level Λ system using optimal control theory. Optimal fields are designed for different initial conditions, resonant, and off-resonant, using the Krotov method including a reference field into the cost functional. Suppression of the population transfer to the intermediate level is achieved via an additional functional constraint which depends on the system dynamics. We demonstrate that the spectrum of the optimised fields has major contribution from the corresponding resonant frequencies independently of the choice of carrier frequency of the initial guess field. We also indicate that the pulse train emerges as a solution of the control problem of coherence optimisation in multi-level quantum systems.