Pressure-broadened atomic Li(2s-2p) line perturbed by ground neon atoms in the spectral wings and core

Full quantum calculations are performed to investigate the broadening profiles of the atomic lithium Li(2s-2p) resonance line induced by interactions with ground Ne(2s~22p~6) perturbers in the spectral wings and core. The X~2Σ~+, A~2Π,and B~2Σ~+ potential-energy curves of the two first low lying Li Ne molecular states, as well as the corresponding transition dipole moments, are determined with ab initio methods based on the SA-CASSCF-MRCI calculations. The emission and absorption coefficients in the wavelength range 550-800 nm and the line-core width and shift are investigated theoretically for temperatures ranging from 130 K to 3000 K. Their temperature dependence is analyzed, and the obtained results are compared with the previous experimental measurements and theoretical works.     

类镓等电子序列ZrX—RhXV离子的4s^24p—4s^24d,4s^24p—4s4p^2,4s^24 …

本文对类镓等电子序列ＧａＩ－ＸｅＸＸＩＶ离子４ｓ＾２４ｐ、４ｓ＾２４ｐ、４ｓ＾２４ｄ、４ｓ４ｐ＾２、４ｐ＾３和４ｓ＾２５ｓ组态组级结果和组态相互作用了理论分析，找出沿等电子序列的变化规律。     

用原子轨道强耦合方法研究H(1s)+H(2s)碰撞的反应截面

采用单电子的双中心原子轨道强耦合方法,计算了H(1s)+H(2s)碰撞体系H(2s)失去电子过程的总截面,并与前人的实验结果进行了比较.研究表明,采用双中心原子轨道强耦合方法得到的H(1s)+H(2s)体系H(2s)失去电子过程的截面与实验比较符合.同时,还给出了H(1s)+H(2s)碰撞体系H(2s)电离过程、H(1s)俘获电子过程和H(2s)退激发到H(1s)过程的理论截面.     

Measurement of absolute cross sections for excitation of the 3s(2)3p(5) 2P(o)(3/2)- 3s(2)3p(5) 2P(o)(1/2) fine-structure transition in Fe9+

Experimental cross sections are reported for the 3s(2)3p(5) 2P(o)(3/2)- 3s(2)3p(5) 2P(o)(1/2) transition in Fe9+ located at 1.945 eV. The center-of-mass interaction energies are in the range of 1.72 eV (below threshold) through threshold, to 5.6 eV (2.9 x threshold). Data are compared with results of a 49-state Breit-Pauli R-matrix theory. The experiment detects structures at 3.5 and 4.6 eV corresponding to enhancement of the direct excitation via many narrow, closely spaced resonances about these energies calculated by the theory. Iron is present in practically every astrophysical object, as well as being an impurity in fusion plasmas. Present data are the first electron-energy-loss measurements on a highly charged iron ion.     

类锂等电子系列(1s2p2p)~4 P~e和(1s2s2p)~4 P~0态的能量和精细结构研究

利用改进的马鞍点方法,截断变分方法,并考虑能量的相对论修正和质量极化效应,计算和研究了类理等电子系列的两个四重态（１ｓ２ｐ２ｐ）４Ｐ０和（１ｓ２ｓ２ｐ）４Ｐｅ态的精细结构和平均跃迁波长,并与实验和其它理论计算结果进行了比较。     

Analysis on surface nanostructures present in hindwing of dragon fly (Sympetrum vulgatum) using atomic force microscopy

The present study involves the analysis of surface nanostructures and its variation present in the hind wing of dragon fly (Sympetrum vulgatum) using atomic force microscopy (AFM). The hindwing was dissected into 4 parts (D1-D4) and each dissected section was analyzed using AFM in tapping mode at different locations. The AFM analysis revealed the presence of irregular shaped nanostructures on the surface of the wing membrane with size varying between 83.25±1.79 nm to 195.08±10.25 nm. The size and shape of the nanostructure varied from tip (pterostigma) to the costa part. The membrane surface of the wing showed stacked arrangement leading to increase in size of the nanostructure. Such arrangement of the nanostructures has lead to the formation of nanometer sized valleys of different depth and length on the membrane surface giving them ripple wave morphology. The average roughness of the surface nanostructures varied from 18.58±3.12 nm to 24.25±8.33 nm. Surfaces of the wings had positive skewness in D1, D2 and D4 regions and negative skewness in D3 region. These surface nanostructures may contribute asymmetric resistance under mechanical loading during the flight by increasing the bending and torsional resistance of the wing.     

NCl(a1Δ)/I（2P3/2）传能体系的实验研究

 利用微波放电Cl₂/He等离子体作为Cl源，对反应NCl(a¹Δ) + I(²P_3/2)→NCl(X³Σ) + I(²P_1/2)进行了实验研究，得到了较大的I(²P_1/2)自发辐射荧光信号，检测到NCl(a¹Δ，b¹Σ)自发辐射荧光光谱在存在少量I(²P_1/2)下发生的显著变化，其中NCl(a¹Δ)自发辐射荧光信号降低，同时由于I(²P_1/2)的作用，NCl(b¹Σ)自发辐射荧光信号大幅度增加。在考察各反应气体流量对I(²P_1/2)自发辐射荧光信号的影响时发现，在本次实验条件下，各种气体的最佳流量：He为1～4mmol/s, I₂为0.01～0.03mmol/s, Cl₂为1.0mmol/s左右,而HN₃流量略大于Cl₂流量时信号升高幅度开始变缓，约为Cl₂流量的两倍时信号不再有显著的变化。     

以Eu_2(CA)_3(phen)_2为掺杂剂的Eu~(3+)/TiO_2纳米粉体的制备及其谱学性能研究

采用溶胶-凝胶法制备了分别以Eu(NO3)3和Eu2(CA)3(phen)2(CA:樟脑酸;phen:1,10-菲咯啉)为前驱体,掺杂量为1%(原子摩尔比)的Eu3+/TiO2纳米粉体,通过差热-热重(TG-DTA)、X射线衍射(XRD)、扫描电镜(SEM)、红外光谱(FTIR)、紫外-可见漫反射吸收光谱(UV-Vis)和荧光光谱等分析手段,对样品的结构和谱学性能进行了对比研究。研究表明,稀土Eu3+以有机配合物Eu2(CA)3(phen)2为前躯体掺杂时,能更有效抑制TiO2纳米粉体的颗粒度增长和晶相转变温度;且UV-Vis吸收峰有一定的红移现象。2种样品中均产生了Eu3+578nm(5D0→7F0),590nm(5D0→7F1)和612nm(5D0→7F2)处的特征发射光谱峰,612nm处最强发射峰为Eu3+特征红色发射峰。当稀土Eu3+含量相同时,以有机配合物Eu2(CA)3(phen)2为前躯体制备的纳米粉体发光强度更大。     

利用SU（2）_（q，s）量子代数的两参数变形振子实现讨论SU（2）_（q，s）相干态

利用ＳＵ（２）ｑ，ｓ量子代数的两参数变形振子实现构造出与Ｐｅｒｅｌｏｍｏｖ相干态形式不同的ＳＵ（２）ｑ，ｓ相干态．证明了ＳＵ（２）ｑ，ｓ，量子代数的表示基是正交的，并讨论了它的相干态的归一性和完备性．指出ＳＵ（２）ｑ，ｓ相干态的相干性受参数ｑ，ｓ的影响，它比单参数变形ＳＵ（２）ｑ相干态更具一般性．     

NCl（a^1△）／I（^2P3／2）传能体系的实验研究

利用微波放电C12／He等离子体作为Cl源，对反应NCl(a^1△) I(^2P3/2)→NCl(X^3∑) I(^2P3/2)进行了实验研究，得到了较大的I(^2P3/2)自发辐射荧光信号，检测到NCl(a^1△，b^1∑)自发辐射荧光光谱在存在少量I(^2P3/2)下发生的显著变化，其中NCl(a^1△)自发辐射荧光信号降低，同时由于I(^2P3/2)的作用，NCl(b^1∑)自发辐射荧光信号大幅度增加。在考察各反应气体流量对I(^2P3/2)自发辐射荧光信号的影响时发现，在本次实验条件下，各种气体的最佳流量：He为1—4mmol/s，I2为0．01—0．03mmol/s，Cl2为1．0mmol/s左右，而HN3流量略大于Cl2流量时信号升高幅度开始变缓，约为Cl2流量的两倍时信号不再有显著的变化。     

Simultaneous Spectrophotometric Determination of Iron(II) and Iron(III) in Mixtures Using Di-2-pyridyl Ketone Benzoylhydrazone

A method for simultaneous spectrophotometric determination of total iron, iron(II) and iron(III) in mixtures containing other metal ions has been described. The method is based on the complexation of iron with di-2-pyridyl ketone benzoylhydrazone (DPKBH) in 50% (v/v) ethanolic solution. Iron(II) complex with DPKBH exhibits two absorption maxima at 360 and 650 nm. meanwhile iron(II1) complex with DPKBH exhibits only one maximum at 360nm. Iron(II) and iron(III) complexes with DPKBH have similar behaviour at 360nm. Iron forms 1:2 complexes with the reagent. Beer's laws are obeyed over the ranges 0.1–2 μgml-1 and 0.4–5 μgrn1-l for iron(II) complexes at 360 and 650nm respectively. Iron(III) showed results similar to those obtained for iron(II) at 360nm. The effect of pH, effect of excess reagent. the stability of complexes. and the tolerance limit of many metal ions have been reported. The method is applied to the determination of total iron, iron(I1). and iron(II1) in synthetic solutions.     

Ionization of metastable He(1s2s) atoms by alkalated surfaces

We calculate the ionization probability for singlet and triplet metastable He(1s2s) atoms scattered from potassium covered surfaces, on the basis of the resonant tunnelling process. We do not assume the trajectory approximation, but we do assume classical motion on the potential energy curves, with crossing between neutral and ionic curves at a given point calculated from electronic tunnelling probabilities. Energy spectra of the He⁺ ions are also calculated. The results are found to be somewhat sensitive to tunnelling probability as a function of distance from the surface. Results are compared with experimental ionization probabilities measured by Roussel. The agreement is found to be fair if the tunneling rate is parameterized according to the theory of Janev et al. A simple interpretation is given.     

用原子轨道强耦合方法研究H(1s) + H(2s)碰撞的反应截面

采用单电子的双中心原子轨道强耦合方法,研究了1-100 碰撞体系的激发、俘获和失去电子总截面,并分别与前人的理论结果和实验结果进行了比较。研究表明,采用双中心原子轨道强耦合方法得到的 体系激发到 过程和失去电子过程的截面与实验符合很好。     

Transition probabilities for NII 2p4f-2p3d and 2s2p^23d-2s2p^23p obtained by a semiclassical method

Based on NII spectra, some transition probabilities for 2p4f--2p3d and 2s2p$^2$3d--2s2p$^2$3p are obtained by a semiclassical method. The results are in good agreement with other measurements and the data reported by the National Institute of Standards and Technology. The transition probability for a line of 424.18nm is reported for the first time. Meanwhile, a feasible method of calculating transition parameters related to special excited configurations or highly excited states is provided.     

V(us) and m(s) from hadronic tau decays

Recent experimental results on hadronic tau decays into strange particles by the OPAL Collaboration are employed to determine V(us) and m(s) from moments of the invariant mass distribution. Our results are V(us)=0.2208+/-0.0034 and m(s)(2 GeV)=81+/-22 MeV. The error on V(us) is dominated by experiment and should be improvable in the future. Nevertheless, already now our result is competitive with the standard extraction of V(us) from K(e3) decays, and it is compatible with unitarity.     

Energy, fine structure, and hyperfine structure of the core-excited states 1s2s2pnp 5P (n = 2–5) and 1s2p2mp 5S (m = 2–5) for Li- ion

The relativistic energies, the oscillator strength, and the lifetimes of high-lying core-excited states 1s2s2pnp ⁵P (n=2–5) and 1s2p²mp ⁵S^o (m=2–5) of Li^- ion are calculated with the saddle-point variational method and restricted variation method. The fine structure and the hyperfine structure of the core-excited states for this system are also explored. The results are compared with other theoretical and experimental data in the literature.     

激发态质子转移分子2-(2'-羟基苯基)苯并噻唑在不同溶剂中的光谱特性

观测了2-(2’-羟基苯基)苯并噻唑(HBT)在不同极性溶剂中的吸收光谱和荧光光谱,详细研究了溶剂极性对HBT发生激发态分子内质子转移(ESIPT)影响的机制。吸收光谱表明在常态条件下,HBT在各种溶剂中都以烯醇式构型和酮式构型共同存在,但以烯醇式构型占绝大多数。荧光光谱表明在纯环己烷溶剂中,HBT被紫外光激发时,绝大多数烯醇式构型发生ESIPT转变为酮式构型,分子的ESIPT效率最大。在含有乙醇的极性溶剂中,HBT烯醇式会形成溶剂化的烯醇式构型,阻碍分子发生ESIPT反应。溶剂中乙醇含量愈多极性愈强,溶剂化烯醇式的成份就愈多,HBT的ESIPT效率就愈低。以400 nm光激发HBT溶液时,在510 nm处发现酮式构型荧光,从而确认了400 nm处的弱吸收是酮式构型的吸收;且在436和456nm处还有新的荧光峰,分析其可能来源于酮式构型去质子化阴离子的发射。     

(Au)_核(Ag)_壳纳米微粒-火焰原子吸收光谱法测定过氧化氢

在90 ℃水浴条件下,以粒径为10 nm的纳米金做晶种,用柠檬酸三钠还原硝酸银,制备了平均粒径为30 nm的（Au）核（Ag）壳纳米微粒,用高速离心纯化除去过量的柠檬酸三钠获得了较纯的（Au）核（Ag）壳纳米微粒。在pH 3.8的HAc-NaAc缓冲溶液中,Fe2＋催化H2O2反应产生的羟基自由基可氧化（Au）核（Ag）壳纳米微粒生成银离子。离心后,离心液中的银离子可用火焰原子吸收光谱法在328.1 nm波长处测量。随着H2O2浓度增大,离心液中银离子浓度增加,其吸光度值增加。H2O2浓度在2.64～42.24 μmol·L-1范围内与上清液中银离子的原子吸收值ΔA呈良好的线性关系,回归方程为ΔA=0.014c-0.013 1, 相关系数为0.998 4,检出限为0.81 μmol·L-1 H2O2。当用于水样中H2O2的测定,获得了满意的结果。     

2(水杨醛缩苯胺)-(1,10-邻菲罗啉)合钙的光谱特性

合成了一种新型的蓝光发射材料2(水杨醛缩苯胺)-(1,10-邻菲罗啉)合钙,并利用红外光谱、X射线衍射谱、DSC热分析、UV-vis吸收谱、荧光激发光谱和荧光发射光谱研究了其结构、晶态、热稳定性以及光学特性,分析了它的能态结构和发光机理。结果表明,2(水杨醛缩苯胺)-(1,10-邻菲罗啉)合钙的热稳定性较高,是一种多晶粉末发光材料,禁带宽度2.93eV,在紫外光的激发下,固态荧光发射峰在449.7nm处,在乙醇溶液体系中的荧光发射峰在491nm处,均为蓝色荧光,色纯度高,荧光量子效率高,其荧光发射主要来源于长波吸收带,最大波长吸收带对荧光发射贡献最大。     

Singlet-triplet conversion of He(1s2s) by metal surfaces

The singlet-triplet conversion of the excited He(1s2s) metastable atom, approaching the metal surface with relatively low work function, is delt with on the basis of an extended Newns-Anderson model allowing the atom to have spin singlet and triplet states. After a canonical transformation, we show that a virtual process through the ionic states, of both the positive and the negative ions, makes the conversion possible. The numerical results show that in a certain range of parameters, the conversion possibly takes place in a region rather far from the surface.