原子吸收分光光度计用于分子吸收分析测定稀土氧化物中铝和硅

用原子吸收分光光度计代替紫外－可见光度计测定元素的分子络合物的分子吸收。作为初步尝试，测定了稀土氧化物中的铝和硅，取得了满意的结果。     

萨根（Sagan，Carl，1934-）美国天文学家（Actronomer，America）

萨根1960年获芝加哥大学博士学位。他主要的兴趣是行星的表面和大气。他创立了金星大气的温室模型，解释这颗行星上令人费解的高温。他也为火星表面的高度差和木星大气中的有机分子找到了证据。他是那些好读科学幻想小说的科学家之一。他试图从模拟原始地球条件的物质体系制造出化合物，经过氨基酸再到核酸的基本构件。1963年他成功地探测到三磷酸腺苷（ATP）的形成，那是生命组织的主要能库。     

含有AlGaAs插入层的InAs/GaAs三色量子点红外探测器

本文报道了采用分子束外延技术制备的三色InAs/GaAs量子点红外探测器. 器件采用nin型结构, 吸收区结构是在InGaAs量子阱中生长含有AlGaAs插入层的InAs量子点, 器件在77 K下的红外光电流谱有三个峰值: 6.3, 10.2和11 μm. 文中分析了它们的跃迁机制, 并且分别进行了指认. 因为有源区采用了不对称结构, 所以器件在外加偏压正负方向不同时, 光电流谱峰值的强度存在一些差异. 不论在正偏压或者负偏压下, 当偏压达到较高值, 再进一步增大偏压时, 都出现了对应于连续态的跃迁峰强度明显下降的现象, 这是由量子点基态与阱外连续态的波函数交叠随着偏压进一步增大而迅速减小导致的.     

(1,2-μ2-L1)(1,2-μ2-L2)十羰基合三锇振动光谱的理论计算[L1, L2=H, Cl, Br, I]

用密度泛函理论和从头计算(abinitio)方法,在B3LYP CEP 4G ,B3LYP LanL2DZ和RHF CEP 4G ,RHF LanL2DZ水平上,全优化计算了(1,2 μ2 H) (1,2 μ2 L)Os3(CO) 1 0 (L :Cl,Br,I)的分子几何构型和电子结构;在RHF CEP 4G水平上,全优化计算了(1,2 μ2 L) 2 Os3(CO) 1 0 (L :H ,Cl,Br,I)的分子几何构型和电子结构。计算结果表明,在这些体系中,电子由Os(CO) 3向Os(CO) 4转移。用RHF CEP 4G对这七个簇合物进行了简正振动频率分析,在计算得到振动频率及吸收强度的基础上,模拟了稳定平衡结构的红外光谱图,并对计算结果进行了比较和讨论。     

CO+分子离子彗尾带系在近红外区域的光谱研究

CO 分子离子是一种重要的瞬态自由基分子,许多研究者对该带系进行了大量的研究。文章采用光外差-磁旋转-速度调制光谱技术测量了12C16O 分子离子彗尾带系(A2Πi-X2Σ )在近红外区域的3个支带(0,3),(1,4)和(3,6)的振转吸收光谱。利用最小二乘法拟合,得到了上态A2Πi(ν′=0,1,3)的精确的分子常数。进一步验证了光外差-磁旋转-速度调制光谱技术在吸收光谱测量中的优越性。     

荧光法研究对羧基苯偶氮基杯[8]芳烃与诺氟沙星的作用

合成了一种超分子探针对羧基苯偶氮基杯[8]芳烃(简称CPAC).利用荧光光谱法研究了溶液状态下该探针与诺氟沙星(简称NFLX)的相互作用.实验表明,两者之间存在较强烈的相互作用,CPAC与NFLX形成外式包结物,静态猝灭NFLX的荧光,CPAC的杯腔体与NFLX的喹啉环间的疏水作用是主要作用方式.测定了该反应的结合常数(K=6.38×105 L·mol-1)和结合比(n=1).实验发现,小牛胸腺DNA能夺取CPAC-NFLX体系中的CPAC,使NFLX游离,说明超分子化合物CPAC可用于诺氟沙星药物的储存和定点释控.     

Theoretical study of stereodynamics for the N+H2/D2/T2 reactions

The effects of isotopic variants on stereodynamic properties for the title reactions have been investigated using a quasi-classical trajectory method based on the first excited state NH2（I^2A＇） potential energy surface [Li Y Q and Varandas A J C 2010 J. Phys. Chem. A 114 9644]. The forward–backward symmetry scattering of the differential cross section can be observed, which demonstrates that all these reactions follow the insertion mechanism. Three angle distribution functions P（θr）, P（φr）, and P（θr, φr） with different collision energies and target molecules H2/D2/T2 are calculated. It is shown that the product rotational angular momentum is not only aligned, but also oriented along the direction perpendicular to the scattering plane. The title reaction is mainly governed by the ＂in-plane＂ mechanism through the calculated distribution function P（θr, φr）. The observable influences on the rotational polarization of the product by the isotopic substitution of H/D/T can be demonstrated.     

基于CO_2吸收增强气化的氨电联产操作条件分析

本文以煤和低浓度煤层气为原料,采用CO_2吸收增强气化,在造气工段制得φ(H_2)/φ(N_2)=3、φ(CO_2+CO)≤0.30%的粗煤气,直接进入气体精制岗位,并取消常规制气的补氮过程或替代空气气化;采用单元建模和流程模拟的方法对系统可行性和适宜操作条件进行分析;预报煤和煤层气共气化的产物分布,提出满足精制岗位进口气体品质要求的制气温度、压力、水煤比、钙煤比和煤气流量等参数;分析循环倍率对合成氨产量、系统净输出功等参数的影响,得到实现系统能量自平衡、且合成氨能耗最低的循环倍率。理论分析表明,该流程可用于合成气制备及氨电联产。     

Fluorescence lifetime imaging of molecular rotors to map microviscosity in cells

Fluorescence liftime imaging （FLIM） of modified hydrophobic bodipy dyes that act as fluorescent molecular rotors shows that the fluorescence lifetime of these probes is a function of the microviscosity of their environment. Incubating cells with these dyes, we find a punctate and continuous distribution of the dye in cells. The viscosity value obtained in what appears to be endocytotic vesicles in living cells is around 100 times higher than that of water and of cellular cytoplasm.Time-resolved fluorescence anisotropy measurements also yield rotational correlation times consistent with large microviscosity values. In this way, we successfully develop a practical and versatile approach to map the microviscosity in cells based on imaging fluorescent molecular rotors.     

Van der Pauw Hall Measurement on Intended Doped ZnO Films for p-Type Conductivity

A Van der Pauw Hall measurement is performed on the intended doped ZnO films （Na doped ZnO） grown by using the molecular beam epitaxial method. All as-grown samples show n-type conductivity, whereas the annealed samples （annealing temperature 900℃） show ambiguous carrier conductivity type （n- and p-type） in the automatic Van der Pauw Hall measurement. A similar result has been observed in Li doped ZnO and in as-doped ZnO films by other groups before. However, by tracing the Hall voltage in the Van der Pauw Hall measurement, it is found that this alternative appearance of both n- and p-type conductivity is not intrinsic behavior of the intended doped ZnO films, but is due to the persistent photoconductivity effect in ZnO. The persistent photoconductivity effect would strongly affect the accurate determination of the carrier conductivity type of a highly resistive intended doped ZnO sample.