原子吸收光谱分析中石墨炉的原子化效率

本文评述了原子吸收光谱分析中石墨炉原子化效率的研究进展，叙述了基础理论、各种原子化效率公式以及βm,βi(exp),βi(cal)间的关系，讨论了原子化效率研究中需要进一步改善的问题。     

氢化物—石墨炉原子吸收光谱法的进展

本文评述了氢化物－石墨炉原子吸收光谱的新进展。内容包括发展沿革、氢化物输入石墨炉方式、氢化物分解和沉积、原子化机理、干扰和应用等部分。指出同时把石墨炉作为氢化物沉积和原子化的工具这种新的联合方式，是近年来氢化物原子吸收法的引人注目的进展，将会获得进一步的发展和应用。本法的主要优点是气相和液相干扰很少。参考文献25篇。     

石墨炉原子发射法测定岩石中的钾

本文在石墨炉原子发射法测定钾的工作中，对原子化温度的时间，灰化温度和时间以及狭缝宽度等进行了选择，对背景辐射干扰，酸介质及浓度的影响进行的实验以及岩石样品的测定，均得到了较满意的结果。     

钨丝探针电解—电墨炉原子吸收光谱法测定砷化镓中的铬

钨丝探针电解－石墨炉原子吸收光谱法测定砷化镓中的铬，灵敏度可达０．０１ｎｇ／１％吸收，相对标准偏差为３％，富集倍数达２８倍。与直接液体进样原子化方法相比，本方法具有减少环境污染，简便，灵敏度高，抗干扰能力强等优点。在研究测铬的最佳条件的同时，本文还探了铬（Ⅵ）的电解机理。     

石墨炉原子吸收法测定镓的原子化机理及基体改进剂增敏机理的研究

本文给出了在不同炉管和不同平台炉以及采用硝酸镍和抗坏血酸作基体改进剂条件下镓的原子化温度曲线。提出了石墨炉原子吸收法测定镓时原子化机理,探讨了基体增敏作用的机理。     

氢化物—石墨炉原位富集原子吸收光谱法测定痕量锑

本文对标示问题进行了研究，自行设计了氢化物发生器，采用以石墨炉两端输入氢化物方式，载气流向用活塞控制，大幅度减少原子化阶段石墨炉内氢气分压，提高了锑的灵敏度，对氢化锑的石墨炉表面分解沉积和原子化机理进行了讨论，方法有于矿泉水和自来水痕量锑的测定，结果令人满意，锑的特征浓度为３０ｐｇ／０．００４４Ａ。     

石墨炉原子吸收光谱法测定中成药心灵丸中痕量锡

用石墨炉原子吸收光谱法测定中成药心灵丸中痕量锡，以压力消解样品，又以氯化肖酸镁作混合基体改进剂，研究了组成复杂的中成药试样前处理方法，锡的灰化温度，原子化行为和干扰的消除。在混合基体改进剂存在情况下，锡在１２００℃灰化温度下仍获得稳定，从而使抑制锡原子化的磷酸盐等基体得以清除。     

悬浮液进样自吸扣背景石墨炉原子吸收光谱法测定高纯氧化铝中铜、铁和钠含量

采用悬浮液-自吸扣背景石墨炉原子吸收法测定了高纯氧化铝中痕量元素铜、铁、钠含量.实验对灰化温度、原子化温度和自吸扣背景灯电流等石墨炉原子吸收工作条件等进行了优化,确定了最佳测定条件.样品测试采用标准水溶液进行校正,方法准确性采用氧化铝AKP-30在高温高压和浓硫酸密闭条件下溶解样品进样分析测定结果与文献报道的其他测定方...     

石墨炉原子吸收光谱法和ICP-AES测定水中镍的比较研究

通过对比石墨炉原子吸收光谱法和ICP-AES测定水中痕量镍的含量,发现ICP-AES具有直接进样、测量稳定、校准曲线线性范围宽等特点;而石墨炉原子吸收法需要较高的原子化温度,容易损坏石墨管.该方法经过t检验证明与标准方法无显著性差异,加标回收率为96.2%-105%,可以代替石墨炉原子吸收光谱法.     

石墨炉原子吸收光谱法测定尿中镍

用PEAA600石墨炉原子吸收光谱仪测定尿中镍,并探讨相关实验条件.取尿样0.5mlL用0.2%硝酸处理后,用具横向加热石墨炉原子化器(THGA)系统和纵向Zeeman效应背景校正的PEAA600石墨炉原子吸收光谱仪,全自动进样和添加基本改进剂进行测定.检出限为1.5μg/L,相对标准差(RSD)在0.952%-6.329%之间,回收率在87.6%-106.9%之间.结果表明,本法简单实用,稳定性好,有可靠的精密度和准确度,是-种理想的尿中镍测定方法.     

On the relation between the gap,the transformation temperature and the average heat of atomization of As2Te3 glasses

The average heat of atomization of semiconducting glasses on the As₂Te₃ base, containing silicon, germanium and thallium is calculated from the heats of atomization of constituting elements. The average heat of atomization is correlated with the intrinsic energy gap and the transformation temperature of the studied glasses. The linear dependence between the energy gap, the transformation temperature and the average heat of atomization is found for As₂Te₃ glasses with silicon, germanium and thallium and is correlated with the binding energy between the constituting atoms.     

氦喷嘴激光飞行时间质谱仪系统传输效率的测定

建立了一套氦喷嘴激光飞行时间质谱仪系统并进行了离线模拟研究.其工作原理是:首先在原子化室蒸发产生样品气态原子来模拟核反应产物,然后利用氦气传输和氦喷嘴技术,使样品原子形成准直原子束与激光作用.通过激光共振激发电离实现原子序数Z的选择,再利用飞行时间质谱技术来确定原子量A,实现样品原子的分离与鉴别.通过用²⁴Na的放射性测量的方法对谱仪系统效率进行了研究,其传输效率约为17%.     

钕或铒的氨基酸-邻菲罗啉体系中超灵敏吸收光谱研究

本文研究了Ｎｄ＾３＋、Ｅｒ＾３＋与某些α－氨基酸及ｐｈｅｎ的二元和三元配合物在９５％乙醇体系中ｆ－ｆ超灵敏跃迁吸收光谱,计算了超灵敏跃迁峰的振子强度及β、δ、ｂ＾１／２参数。     

Structural,electronic,optical,and magnetic properties of Co-doped Cu_2O

We investigate the magnetic properties of Co-doped Cu_2O. We studied first the electronic and structural properties of Cu_2O using the optimization of the lattice constant which is 4.18 . The calculated gap is found between 0.825 eV and1.5 eV, these values are in good agreement with the experimental results. The Co atoms are inserted in Cu_2O by means of the density functional theory(DFT) using LSDA, LSDA +U, and LSDA + MBJ approximations in the WIEN2 k code, based on the supercell model by setting up 12, 24, and 48 atoms in(1×1 × 2),(1 × 2 × 2), and(2 × 2×2) supercells respectively with one or two copper atoms being replaced by cobalt atoms. The energy difference between the ferromagnetic and antiferromagnetic coupling of the spins located on the substitute Co has been calculated in order to obtain better insight into the magnetic exchange coupling for this particular compound. The studied compound exhibits stable integer magnetic moments of 2 μBand 4 μBwhen it is doped with 2 atoms of Co. Optical properties have also been worked out. The results obtained in this study demonstrate the importance of the magnetic effect in Cu_2O.     

Formation of excited states of atoms and ions in laser plasma from CuInS2

Emission spectra and the energy distribution of the excited-state population density of atoms and ions in erosion laser plasma from CuInS₂ with various crystal-structure orderings are analyzed. It is shown that increased ordering of the target crystal structure causes the excited-state energies of indium atoms generated in the laser erosion plume to increase and that sulfur atoms always emit only in transitions from highly excited states. The ratio of relative ion concentrations in the laser plasma plume is Cu⁺/In⁺/S⁺ = 0.3/0.08/2, which corresponds neither to the atomic ratio of Cu/In/S (1/1/2) in the target nor to the ratio of ionization energies. The results are explained by recombination processes for ions and by the atomization specifics of the CuInS₂ target exposed to long-wavelength radiation. The atomization consists essentially of dissociative processes expressed by CuInS₂ → CuInS + S and CuInS₂ → Cu + InS + S. The electron temperature of polycrystal (single-crystal) plasma at a distance of 1 mm from the target is 0.3 eV (0.4 eV) for atoms and 1.3 eV (2.7 eV) for ions and varies negligibly for plasma up to a distance of 7 mm from the target. __________ Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 75, No. 2, pp. 217–223, March–April, 2008.     

卤素氟化物ClFO3的结构与性能的理论研究

卤素氟化物是一类反应活性很强的物质,在诸多领域有重要应用。本文采用量子化学密度泛函理论（DFT）B3LYP/6-31G(2df)方法,对卤素氟化物ClFO3的七种异构体进行了几何优化和振动频率分析,结果表明它们均对应于势能面上的稳定构型。这七种异构体中,Cl原子作为中心原子,与1个F原子和3个O原子直接成键形成的分子结构能量最低,为最稳定结构。根据统计热力学原理,计算了标题物的标准热力学函数,包括摩尔热容（Cop,m）、摩尔熵（Som）和摩尔焓（Hom）。理论计算所得结构参数和与热力学函数均与文献报道的实验值相符,说明了所用理论方法的可靠性。借助于原子化反应和生成反应计算了其生成焓及其与甲烷和水反应的热效应。在DFT优化分子结构的基础上,采用力场方法得到ClFO3的最可能堆积方式属于Pbca空间群,进一步采用DFT GGA-RPBE方法优化其晶体结构,并计算能带结构和态密度,发现其带隙较宽（4.61eV）,表明其具有较好的稳定性。在Fermi能级附近,ClFO3晶体中的导带主要来自于O和F原子的2p轨道的贡献,而价带主要来自于Cl原子的2p轨道的贡献。     

Influence of the Porosity of the Surface of a Graphite Furnace on the Atomization of a Sample

The influence of the wear of a tube graphite furnace and the morphological features of its surface on the formation of an atomic-absorption signal has been investigated. Electron-microscopic and mass-spectrometric investigations have shown that, prior to atomization, copper in the form of elementary metal microparticles is found not only on the surface of the furnace but also in the bulk of its pores. Free atoms are formed as a result of the concurrent processes of atomization of a sample on the surface of the furnace and in the bulk of its pores. The change in the apparent energy of formation of free atoms of metals interacting actively with graphite in the process of atomization and the inflection on their Arrhenius plot have been explained qualitatively.     

卤素氟化物ClFO3的结构与性能的理论研究

卤素氟化物是一类反应活性很强的物质,在诸多领域有重要应用。本文采用量子化学密度泛函理论（DFT）B3LYP/6-31G(2df)方法,对卤素氟化物ClFO3的七种异构体进行了几何优化和振动频率分析,结果表明它们均对应于势能面上的稳定构型。这七种异构体中,Cl原子作为中心原子,与1个F原子和3个O原子直接成键形成的分子结构能量最低,为最稳定结构。根据统计热力学原理,计算了标题物的标准热力学函数,包括摩尔热容（Cop,m）、摩尔熵（Som）和摩尔焓（Hom）。理论计算所得结构参数和与热力学函数均与文献报道的实验值相符,说明了所用理论方法的可靠性。借助于原子化反应和生成反应计算了其生成焓及其与甲烷和水反应的热效应。在DFT优化分子结构的基础上,采用力场方法得到ClFO3的最可能堆积方式属于Pbca空间群,进一步采用DFT GGA-RPBE方法优化其晶体结构,并计算能带结构和态密度,发现其带隙较宽（4.61eV）,表明其具有较好的稳定性。在Fermi能级附近,ClFO3晶体中的导带主要来自于O和F原子的2p轨道的贡献,而价带主要来自于Cl原子的2p轨道的贡献。