Nature of the near‐IR band in the electronic absorption spectra of neutral bis(tetrapyrrole) rare earth(III) complexes: Time‐dependent density functional theory calculations

The nature of the near‐IR band in the electronic absorption spectra of bis(tetrapyrrole) rare earth(III) complexes Y(Pc)₂ (1), La(Pc)₂ (2), Y(Pc)(Por) (3), Y(Pc)[Pc(α‐OCH₃)₄] (4), Y(Pc)[Pc(α‐OCH₃)₈] (5), and Y(Pc)[Pc(β‐OCH₃)₈] (6) was studied on the basis of time‐dependent density functional theory (TD‐DFT) calculations. The electronic dipole moment along the z‐axis in the electronic transition of the near‐IR band in all the studied neutral bis(tetrapyrrole) yttrium(III) and lanthanum(III) double‐deckers is well explained on the basis of the composition analysis of the orbitals involved. The electronic transition in the near‐IR band causes the reversion of the orbital orientation of one tetrapyrrole ring in both homoleptic and heteroleptic bis(tetrapyrrole) rare earth complexes and induces electron transfer from the tetrapyrrole ring with lower orbital energy to the other ring in the heteroleptic bis(tetrapyrrole) rare earth(III) complexes. The near‐IR band can work as an ideal characteristic absorption band to reflect the π–π interaction between the two tetrapyrrole rings in bis(tetrapyrrole) rare earth(III) double‐decker complexes because of its peculiar electronic transition nature. © 2009 Wiley Periodicals, Inc. Int J Quantum Chem, 2010     

茶叶中锰、铁、锌、铬等10种微量元素的快速测定

茶叶样品经粉碎干燥后,以硝酸-高氯酸混合液进行消解处理,火焰原子吸收分光光度法测定了K、Ca、Na、Mg、Fe、Mn、Cu、Zn、Ni、Cr的含量。结果表明,回收率在89.30%～103.20%之间,相对标准偏差小于10%。方法简单、快速、经济,结果可靠。     

Antimony as a traffic-related element in size-fractionated road dust samples collected in Buenos Aires

The growing interest of public opinion in environmental problems conducted us to investigate the levels of a toxic traffic-related element such antimony in 19 size-fractionated street dust samples. Samples were collected in the megacity of Buenos Aires during two months at 19 sites with different urban characteristics and traffic profile. Samples were sieved in four fractions (F1 < 37 µm, F2: 37-55 µm, F3: 55-75 µm and F4: 55-100 µm) before elemental analysis. A mixture of aqua regia and hydrofluoric acid was used to digest all samples. Antimony concentrations were quantified by inductively coupled plasma optical emission spectrometry (ICP OES) or flow injection hydride generation-atomic absorption spectrometry (FI-HG-AAS).Twenty four out of 73 sub-samples analyzed showed Sb levels < 0.05 µg g^− 1; in the rest of the samples mean Sb concentrations varied from 1.4 to 20.4 µg g^− 1. Maximum and minimum concentrations (in µg g^− 1) found in individual samples in the four fractions were: Fraction 1, < 0.05-20.4; Fraction 2, < 0.05-18.4; Fraction 3, < 0.05-6.3; Fraction 4, < 0.05-7.7.Antimony was found to be enriched in the smallest size fraction of road dust, with mean enrichment factors varying between 27 (F3) and 272 (F1). Concentrations of Sb were correlated with those of other traffic-related elements such as Cu and Pb and higher levels were found in areas with medium and high traffic densities.     

Electronic spectra of uranium tetrachloride clusters with electron-donor ligands

Electronic absorption spectra of nanoclusters of uranium tetrachloride are obtained experimentally and analyzed over a wide spectral range, from the visible to the IR. The structure of the long wavelength electronic absorption spectra is discussed in terms of the structure and electron-donor number of the attached ligand. Molecules of dimethyl sulfoxide (DMSO), hexamethyl phosphotriamide (HMPT), and water were used as ligands. The effect of the symmetry of the surroundings of the U⁴⁺ ion on the structure of the electronic spectrum is examined. Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 76, No. 2, pp. 182–187, March–April 2009.     

Study of Spectroscopic Properties of Yb-doped Calcium Fluorapatite

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Probing the Polarity of Sol-Gels and Ormosils via the Absorption of Nile Red

Conventional sol-gels are rather hydrophilic. A more hydrophobic material is obtained preparing organically modified siloxanes (ormosils). The polarity-sensitive probe Nile Red (NR) was doped in various sol-gels to probe their micro-polarity. The experiments show that the NR is an excellent probe and sensitive to the polarity of its microenvironment. Spectroscopic studies reveal remarkable changes in the absorption band positions and intensities as a function of the polarity of the sol-gel, which depends on the different precursors used. Furthermore, sol aging, gelation and temporal stability as a function of different ormosils have been investigated.     

智能化夫兰克-赫兹实验仪灯丝电流采集部分设计

智能化夫兰克-赫兹实验中,通过测量灯丝电流的峰-谷点变化来确定管内所充物质的第一激发电位,灯丝电流的测量直接影响到实验的精度.本文介绍了智能化夫兰克-赫兹实验仪中灯丝电流信号的数据采集模块CS5506,给出了CS5506 A/D转换模块与Atmega16的接口电路和软件程序.最后用该实验仪进行不同温度参数的实验,测量获得理想的实验曲线和实验数据表.     

Cadmium determination in biological samples by direct solid sampling flame atomic absorption spectrometry

A direct solid sampling flame atomic absorption spectrometric procedure for trace determination of cadmium in biological samples has been developed. Test samples (0.05–2.00 mg) were ground and weighed into small polyethylene vials, which were connected to the device for solid sample introduction into a conventional air/acetylene flame. Test samples were carried as a dry aerosol to a quartz cell, placed between the burner and the optical path, which had a perpendicular entrance and a slit in the upper part. The atomic vapor generated in the flame produced a transient signal that was totally integrated within 1 s. The effect of operating conditions and the extent of grinding on the analytical signal were evaluated. Background signals were always low and a characteristic mass of 0.29 ng Cd was obtained. Calibration was performed using different masses of solid certified reference materials. Results obtained for certified and in-house reference materials were typically within the 95% confidence interval of the certified and/or reference value, and the precision, expressed as relative standard deviation, was between 3.8 and 6.7%. The proposed system is simple and it might be adapted to conventional atomic absorption spectrometers allowing the determination of Cd in more than 80 test samples per hour, excluding weighing.