Contacted Ion Pairs in Aqueous CuCl2 by the Combination of Ratio Spectra, Difference Spectra, Second Order Difference Spectra in the UV-Visible Spectra

The microstructure of aqueous CuCl2 has been studied through lots of technologies for many years; however, it remains a controversial subject. In this study, a new spectroscopic method has been proposed to analyze the UV-visible spectra of thin fihn of CuCl2/H2O solutions at different concentrations. This method is the combination of ratio spectra, difference spectra and second order difference spectra. By using this method, two new bands at -230 and -380 nm are obviously observed. The bands are assigned as the contacted ion pairs [CuCl3（H2O）n]- or [CuCl4（H2O）n]2-, which demonstrates that ion pairs exist in the CuCl2/H2O solution. Such finding agrees with the recent theoretical spectra obtained by time-dependent density functional theory. Furthermore, the populations of the contacted ion pairs are discussed. This study not only offers the direct spectroscopic evidence of [CuCl3（H2O）n]- or [CuCl4（H2O）n]2- in aqueous CuCl2, but also suggests that the spec- troscopic analysis method is powerful to extract the weak bands in a strong overlapping spectrum.

Synthesis of rare earth sulfides and their UV-vis absorption spectra

Rare earth sulfides were systematically synthesized via the sulfurization of their commercial oxide powders using CS2 gas to shorten sulfurization time, and their UV-vis absorption spectra were investigated. The appropriate sulfurization conditions were studied. For the rare earth sulfides with the same crystal structure, the sulfurization temperature showed increasing tendency with the decrease of rare earth element atomic radii. The UV-vis absorption spectra of rare earth sulfides did not depend on the crystal structure of rare earth sulfides, but on the 4f electronic structure of rare earth element. The data showed that the optical band gaps of rare earth sulfides were irregular, and the values ranged from 1.65 to 3.75 eV.

Electrocatalytic Oxidation of Hypophosphite on Nickel Electrode ──In Situ UV-Vis Spectroscopic study

The electrocatalytic oxidation of hypophosphite on a nickel electrode has been studiedby means of in site UV-Vis subtractive reflectance spectroscopy. An absorbency band around 245um . which was ascribed to the formation of an intermediate, PHO2-, was observed in theelectrocatalytic oxidation process. Accordingly, the electrocatalytic oxidation of hypophosphitemight undergo a H abstraction of hypophosphite from the P-H bond to form the phosphoruscentred radical PHO2-, which is subsequently electrooxidized to the final product, phosphite.

Interaction of 4-aminosalicylic Acid and Surfactants in Aqueous Solutions Using UV-Vis Spectra and Steady-state Fluorescence Spectroscopy

The interactions of 4-aminosalicylic acid （4-ASA） and surfactants in aqueous solutions were investigated by using UV-Vis spectra and steady-state fluorescence spectroscopy.The results showed that the strongest peak at UV-vis spectra of 4-ASA aqueous solution in the presence of cationic surfactant and cetyltrimethyl ammonium bromide （CTAB） appeared at 206 nm and took a red shift from 206 nm to 221 nm with the increase of 4-ASA concentrations from 0.8×10-5 to 4.4×10-4 mol/L.Similarly,the strongest peak at UV-vis spectra of 4-ASA aqueous solution in the presence of nonionic surfactant and polyvinylpyrrolidone （PVP） appeared at 206 nm and took a red shift from 206 nm to 219 nm with the increase of 4-ASA concentrations from 0.8×10-5 to 4.4×10-4 mol/L.However,the similar phenomena did not appeared in the presence of anion surfactant,sodium dodecyl sulfate （SDS）,the UV-vis spectra of 4-ASA aqueous solution remained the same peak position and the peak value increased with the 4-ASA concentration increase.The results could be attributed to the electrostatic attraction between 4-ASA and CTAB or PVP,as well as the electrostatic repulsion between 4-ASA and SDS.Furthermore,the value of critical micelle concentration （CMC） of surfactants in the presence of 4-ASA was determined with Fluorescence method.The first and second CMC of CTAB was 1.2×10-4 M and 2.4×10-4 M,respectively.The first and second CMC of PVP was 1.2×10-4 M and 2.8×10-4 M.SDS realized the multiple micellizations to form multiple CMC.

Chemical Dosimetry during Alpha Irradiation: A Specific System for UV-Vis <i>in Situ</i>Measurement

This paper is devoted to the study of the potentiality of the Fricke dosimeter for the characterization of the highly energetic (62.1 MeV) α particles beams generated by a new cyclotron facility, namely ARRONAX started in 2009. Such for this high energetic α beam, in situ dosimetry is performed in order to avoid radiation safety inconvenience and to earn run time of irradiation. Therefore, an in situ Fricke dosimetry protocol is developed and its reliability is checked by comparison with other experiments carried out by using the traditional method (ex situ Fricke dosimetry) within another cyclotron facility (CEMHTI) and by comparison with literature data. To author’s knowledge, it is the first time that Fricke dosimetry is performed during the α irradiation experiment. The results of these in situ dosimetry experiments show that the value of ferric ions radiolytic yield (G(Fe3+) = (11.7 ± 1.2) 10–7 mol?J–1) extrapolated from literature data can be used for this higher energy of α particles (Eα = 62.1 MeV).

Application of Two-Dimensional Correlation UV-Vis Spectroscopy in Chinese Liquor Moutai Discrimination

Chinese liquor Moutai is the “National alcoholic drink” in China and plays a very important role of social activities in Chinese people’s life. In pursuit of high profits, some illegal counterfeit Moutai liquors have begun to appear in the market. Therefore, it is an urgent need for new techniques to discriminate the genuine and counterfeit Moutai liquor. In this work, the conventional Ultraviolet-Visible (UV-Vis) spectroscopy and two-dimensional correlation UV-Vis spectroscopy are applied to obtain the UV-Vis characteristic of Moutai liquor and counterfeit one, respectively. The experimental results reveal that the conventional UV-Vis spectra of the genuine and counterfeit Moutai liquor are similar. However, the two-dimensional correlation UV-Vis spectra of them are different and this method would be applied to differentiate the counterfeit Moutai liquor from the genuine Moutai liquor. Compared with conventional methods, this novel method has the advantages of easy operation, simple instrumentation and direct recognition, which make it a potential tool in the fields of food safety.

Preparation of Reactive Bright Blue Rare Earth Dyestuffs and Their Spectra Properties

Reactive bright blue rare earth dyestuffs were prepared by using reactive bright blue and lanthanum oxide,praseodymium oxide, neodymium oxide, samarium oxide, europium oxide, gadolinium oxide, dysprosium oxide, erbium oxide, lutetium oxide, yttrium oxide respectively for dyeing silk cloth.The degree of dyeing of reactive bright blue praseodymium and the degree of fixation of reactive bright blue gadolinium are the biggest, and 22.9% and 7 %are increased with that of reactive bright blue respectively.The spectra of reactive bright blue rare earth and reactive bright blue were studied by UV-VIS.In 200.00 ～ 800.00 nm, reactive bright blue has four absorption peaks, reactive bright blue rare earth has three absorption peaks; in 420.00 ～ 760.00 nm, reactive bright blue has two absorption peaks at 661.50 nm and 625.50 nm, respectively, and λmax is 661.50 nm; reactive bright blue rare earth has one absorption peak at 620.50, 618.00, 622.00, 623.00, 622.50, 619.50, 619.00, 621.00, 624.00, 620.00 nm adding La3+ ,Pr3+, Nd3+, Sm3+, Eu3+, Gd3+, Dy3+, Er3+, Lu3+, Y3+respectively.

Spectral Properties of Extracted Complexes of MetalPicrates with Crown Ethers

The investigation on UV-visible spectra of species formed by extracting some metal picrates with benzo-15-crown-5(B15C5) and dibenzo-18-crown-6(DB18C6) verified that there are some interactions of picrate anion with K+, Na+ and rare earth ions in loaded organic phase. By the study of the charge transfer band and absorption spectra of picrate anion, it can be determined whether an ion pair has been formed and either a 1 : 1 contact ion pair or a 1 : 2 crown-separated ion pair involved in organic phase can be distinguished for an ion-pair extraction.

Investigation of Absorption Spectra of Bis(alkylxanthato)-platinum(Ⅱ) Complexs

Being widely used as good ligands,xanthates and related compounds have been extensively investigated.However,reports on Pt（Ⅱ） xanthates have been sparse so far.Watt et al.reported the synthesis and characterization of Pt（S;COR）;（R=Me,Et）,but did not provide any absorption spectra of these complexes.We prepared twelve platinum （Ⅱ） xanthate complexes and examined their absorption spectra in detail.

UV–visible spectral characterization and density functional theory simulation analysis on laser-induced crystallization of amorphous silicon thin films

The effect of laser energy density on the crystallization of hydrogenated intrinsic amorphous silicon （a-Si：H） thin films was studied both theoretically and experimentally. The thin films were irritated by a frequency-doubled （λ= 532 nm） Nd：YAG pulsed nanosecond laser. An effective density functional theory model was built to reveal the variation of bandgap energy influenced by thermal stress after laser irradiation. Experimental results establish correlation between the thermal stress and the shift of transverse optical peak in Raman spectroscopy and suggest that the relatively greater shift of the transverse optical （TO） peak can produce higher stress. The highest crystalline fraction （84.5%） is obtained in the optimized laser energy density （1000 mJ/cm2） with a considerable stress release. The absorption edge energy measured by the UV- visible spectra is in fairly good agreement with the bandgap energy in the density functional theory （DFT） simulation.

Preparation and Spectra Properties of Reactive Blue Rare Earth Dyestuffs

Reactive blue rare earth dyestuffs were prepared by using reactive blue and lanthanum oxide, praseodymium oxide, neodymium oxide, samarium oxide, europium oxide, gadolinium oxide, terbium oxide, dysprosium oxide, erbium oxide, lutetium oxide and yttrium oxide respectively for dyeing silk cloth. The degrees of dyeing of reactive blue gadolinium and fixation of reactive blue neodymium were the biggest respectively, were 84.83% and 97.96 respectively, were 24.13% and 8.36% were increased with that of reactive blue respectively. The spectra of reactive blue rare earths and reactive blue were studied by UV-VIS. In 200.00～800.00 nm, the λmax of reactive blue, reactive blue lanthanum, reactive blue praseodymium, reactive blue neodymium, reactive blue samarium, reactive blue europium, reactive blue gadolinium, reactive blue terbium, reactive blue dysprosium, reactive blue erbium, reactive blue lutetium and reactive blue yttrium are 599.00, 600.00, 602.00, 601.00, 600.00, 600.50, 600.50, 601.00, 600.00, 600.50, 599.50 and 600.50 nm respectively. Reactive blue lanthanum, reactive blue praseodymium, reactive blue neodymium, reactive blue samarium, reactive blue europium, reactive blue gadolinium, reactive blue terbium, reactive blue dysprosium, reactive blue erbium, reactive blue lutetium, reactive blue yttrium and reactive blue had almost same color.

Synthesis, Structure and Spectra Properties of a Novel BOIMPY Compound

A bis-2-iminopyrrole compound（1） and its difluoroboron complex（2） were synthesized and characterized. The crystal of 2 is in the monoclinic system, P2_1/n space group with a = 21.5113（15）, b = 6.3036（3）, c = 21.5064（15） A, V = 2826.3（7） A^3, Z = 4, C_（26.5） H_（25） B_2 ClF_4 N_4 O, M_r = 548.57, D_c = 1.390 g/cm, F（000） = 1132 and μ（MoKα） = 1.787 mm^-1. The final R = 0.0647 and wR = 0.1817 for 10346 observed reflections with I 〉 2σ（I）, and R = 0.0889 and wR = 0.1993 for all data. The molecules of complex 2 self-assemble through C–H×××F hydrogen bonds and form tubular structures which are filled by CH_2 Cl_2 molecules stabilized by C–H×××π interaction. The UV-Vis spectra of complex 2 show great bathochromic shift compared to that of compound 1 due to the difluoroboron complexing. Complex 2 shows fluorescence emission both in solid state and in solution, whereas compound 1 only exhibits fluorescence emission in solid state.

<i>In Situ</i>UV–Vis Spectroelectrochemical Studies on the Copolymerization of Diphenylamine and <i>o</i>-Phenylenediamine

The in situ ultraviolet-visible (UV-Vis) spectroelectrochemical study on the copolymerization of diphenylamine (DPA) and o-phenylenediamine (OPD) has been performed at a constant potential of 0.8 V using indium tin oxide (ITO)-coated glass electrodes as working electrode. And also, as a comparison, the electrochemical homopolymerizations of DPA and OPD have been investigated by using the in situ spectroelectrochemical technique. The intermediate species generated during the electrochemical homopoly-merization of DPA and OPD, and the copolymerization of DPA with OPD have been identified by using the in situ spectroelectrochemical procedure. The results reveal the formation of an intermediate in the initial stage of copolymerization through the cross-reaction of the cation radicals of DPA and OPD, and the absorption peak located at 538 nm in the UV–Vis spectra is assigned to this intermediate. To further investigate the copolymerization of DPA with OPD, cyclic voltammetry (CV) has been used to study the electrochemical homopolymerization of DPA and OPD and also the copolymerization of DPA and OPD with different concentration ratios in solution. The different voltammetric characteristics between the homopolymerization and copolymerization processes exhibit the occurrence of the copolymerization, and the difference between the copolymerization of DPA and OPD with different concentration ratios shows the dependence of the copoly-merization on the concentrations of DPA and OPD. The copolymer has also been characterized by Fourier transform infrared spectroscopy (FT-IR).

Oxygen vacancy defects engineering on Cu-doped Co_(3)O_(4) for promoting effective COS hydrolysis

The activation of H_(2)O is a key step of the COS hydrolysis,which may be tuned by oxygen vacancy defects in the catalysts.Herein,we have introduced Cu into Co_(3)O_(4) to regulate the oxygen vacancy defect content of the catalysts.In situ DRIFTS and XPS spectra reveal that COS and H_(2)O are adsorbed and activated by oxygen vacancy.The 10 at%Cu doped Co_(3)O_(4) sample(10Cu-Co_(3)O_(4))exhibits the optimal activity,100%of COS conversion at 70℃.The improved oxygen vacancies of CueCo_(3)O_(4) accelerate the activation of H_(2)O to form active -OH.COS binds with hydroxyl to form the intermediate HSCO^(-)_(2),and then the activated-OH on the oxygen vacancy reacts with HSCO^(-)_(2) to form HCO^(-)_(3).Meanwhile,the catalyst exhibits high catalytic stability because copper species(Cu+/Cu^(2+))redox cycle mitigate the sulfation of Co_(3)O_(4)(Co^(2+)/Co^(3+)).Our work offers a promising approach for the rational design of cobalt-related catalysts in the highly efficient hydrolysis COS process.

多尺度晶体材料的原位表征技术与计算模拟研究进展

大尺寸晶体材料是半导体、激光、通讯等领域的基础原料,大尺寸、高品质晶体材料的制备已成为制约相关行业发展的瓶颈。我国面临的“卡脖子”技术中大多与关键基础材料相关。大尺寸晶体材料制备理论与技术是我国新材料产业高质量发展的一个重要方面,也是提升相应高技术产业的基础,突破大尺寸晶体材料的制备理论和技术是获得高品质大尺寸晶体材料的关键。探究并准确理解大尺寸晶体生长机理需要借助原位表征技术和多尺度计算模拟方法。单一的原位表征和模拟技术只能探究特定时间和空间范围内的结晶信息,为了准确反映结晶过程需要综合应用多种方法。本文综述了最新的多尺度晶体生长研究的原位表征方法、多尺度计算模拟技术以及机器学习方法,为发展结晶理论和控制晶体品质提供重要的实验和理论依据,并将为提升大尺寸晶体生长工艺的开发而服务。

环氧型防腐涂层在深海环境的电化学行为分析

目的评价铝合金基环氧型防腐涂层在深海环境的腐蚀防护性能,为铝合金结构在深海环境下的腐蚀防护提供支撑。方法采用近底悬浮式深海环境试验装置和深海高压模拟试验系统,分别开展环氧型防腐涂层体系实海试验与室内模拟深海试验,研究铝合金基环氧型防腐涂层在深海环境下的防护性能与电化学行为。结果某海域实海结果显示,经历0.5 a的1000 m深海试验后,环氧防腐涂层对铝合金基体的防护状态良好,涂层附着力强度仍旧保持在9 MPa以上。室内模拟深海试验结果显示,在5~20 d的试验周期内,试验初期涂层电阻均在10^(10)Ω·cm^(2)以上,涂层电容则在10^(‒10)F/cm^(2)数量级。随着试验时间的增加,涂层电阻减小,电容增加。其中3000 m模拟深海环境下,涂层电阻从初始的3.995×10^(10)Ω·cm^(2)锐减至3.264×10^(7)Ω·cm^(2),下降了3个数量级,涂层电容则从初始的8.818×10^(‒10)F/cm^(2)上升至1.765×10^(‒9)F/cm^(2)。静水压力影响结果显示,随着试验压力的增加,涂层电阻逐渐减小,涂层电容和吸水率逐渐增加。在试验后期,1000、2000、3000 m模拟深海环境下,涂层电阻分别为3.044×10^(10)、4.305×10^(9)、3.264×10^(7)Ω·cm^(2),而涂层吸水率则分别为4.32%、8.09%和15.84%。结论1000~3000 m深海环境下,深度每增加1000 m,浸泡初期相同时间的涂层吸水率增加近1倍。

CO和CH_30N0在Al_20_3负载钯铜合金催化剂上合成草酸二甲酯的原位红外光谱研究

利用原位红外光谱技术研究了常压下CO和CH3ONO多相催化合成草酸二甲酯的反应．发现在草酸二甲酯生成的同时还存在副反应，副产物NO继续与CO反应生成CO2和N2O．铜在合金催化剂中起辅助作用，铜分散把，使CO桥式吸附减少，线式吸附增多．主反应与CO桥式吸附无关，而副反应却依赖于CO的桥式吸附．CO线式吸附具有更高的反应活性．

正交相AlPO_4-5相转变的红外光谱研究

AlPO 4 5 molecular sieve with an orthorhombic phase was studied by in situ variable temperature infrared spectroscopy. The reversible phase transition from the orthorhombic into the hexagonal phase was found at about 120 ℃. [WT5HZ]

CuO/Al_2O_3催化剂高温固相反应的原位XRD和Raman研究

采用原位 XRD 和激光 Raman 光谱等技术对 CuO/Al_2O_3系列催化剂高温下的表面组成和体相结构的变化进行研究，结果表明，随着焙烧温度升高，CuO 首先与载体 Al_2O_3发生固相反应生成 CuAl_2O_4．CuAl_2O_4层能阻止外层 CuO 进一步向载体 Al_2O_3扩散，从而使部分 CuO 稳定在 CuO/Al_2O_3催化剂的表层。

异极矿热相变过程的高温原位拉曼光谱

利用高温拉曼光谱技术,对异极矿进行了原位拉曼光谱的测试和研究。结果表明,异极矿加热至800 K时,与结晶水(H2O)中O-H伸缩振动对应的3470 cm-1特征拉曼谱峰消失,但标志硅酸盐骨架[Si2O7](Q1)结构的特征谱峰926 cm-1未受影响,表明结晶水的丢失并不影响异极矿的整体结构。当加热至1050 K,反映结构水O-H伸缩振动的特征峰3580 cm-1消失,与Q1结构单元Si-Onb对称伸缩振动相对应的特征峰926 cm-1强度逐渐减小,并出现与Q0相对应的852.4 cm-1特征峰。这表明加热到1050 K时,异极矿开始出现相变。当升温达1100 K以上,结构水(OH)的特征谱峰(3580 cm-1)消失,与Si-Onb对称伸缩振动对应的特征拉曼谱峰变为855 cm-1,这标志着异极矿原有的Q1结构已完全转变为硅锌矿的Q0结构([SiO4]结构),也就是说异极矿已完成向硅锌矿的转变。