Photoelectron spectra of styrenes ag

The photoelectron spectra of styrene and its methyl derivatives were measured and interpreted. The vinyl group twisted by the steric hindrance of the α- or orthomethyl group was found to play an important role in the interpretation of the photoelectron spectra of these compounds. The dependence of the higher occupied π orbital energies of styrene upon the twist angle of the vinyl group was estimated from the experimental data.     

Electronic interaction between the phenyl group and its unsaturated substituents

The high-resolution He I photoelectron spectra of some isoelectronic substituted benzenes with eleven valence electron substituents (styrene, benzaldeh     

Collision-energy-resolved Penning ionization electron spectroscopy of styrene, 2-vinylpyridine, and 4-vinylpyridine with He*(23S) metastable atoms

Collisional ionization of styrene (phenylethylene), 2-vinylpyridine, and 4-vinylpyridine with metastable He*(2³S) atoms were studied by means of collision-energy/electron-energy resolved two-dimensional Penning ionization electron spectroscopy. Collision energy dependence of partial ionization cross-sections, which reflects the anisotropic interactions between a He*(2³S) atom and the target molecules, indicates that attractive interaction for the out-of-plane access of a He*(2³S) atom to phenyl group is stronger than that for the out-of-plane access to vinyl group. Moreover, it was found for vinylpyridines that the attractive interaction around π electrons became weaker than that for styrene, and that the attractive interaction for the in-plane access to the nitrogen atom is stronger than that for out-of-plane π-directions. However, in 2-vinylpyridine, the hydrogen atom of vinyl group prevents a He*(2³S) atom from approaching to the nitrogen atom along in-plane directions, and thus the attractive interactions around the nitrogen atom were shielded by the vinyl group. The experimentally observed anisotropic interactions were qualitatively supported with ab initio model interaction potential calculations between a Li (He*(2³S)) atom and the target molecule. Concerning with electronic structures of investigated molecules, the assignment of Penning ionization electron spectrum for 4-vinylpyridine was discussed on the basis of different behavior of collision-energy dependence of partial ionization cross-sections, and the satellite ionization band in Penning ionization electron spectra was also reported for styrene.     

He(I) and He(II) photoelectron spectra of some substituted ethylenes

The He(I) and He(II) photoelectron spectra of acrolein, acrylic acid, methyl acrylate, vinyl acetate, acrylamide and some of their methyl-substituted analogues are reported. Detailed assignments are proposed, mainly based on differences in intensity between the He(I) and He(II) spectra, on sum rule considerations and on the results of modified CNDO/S calculations.The assignment criteria are critically evaluated.     

苯乙烯的三维荧光特性及水污染应急处理

苯乙烯对人体健康和自然环境具有极大的危害,是国际卫生组织确认的致癌物。历年来,苯乙烯泄漏事故频繁发生,对饮用水安全造成了极大的隐患。对水中苯乙烯污染进行快速监测并采取切实有效的应急处理措施有助于保障饮用水的卫生安全。利用三维荧光光谱技术对苯乙烯的水溶液进行分析,发现在Ex255/Em305处有一个明显的荧光峰,荧光峰值与苯乙烯溶液浓度呈现良好的线性相关,相关系数r达到了0.995 7,其颜色随浓度增加而变深。苯乙烯中共有4个共轭π键,其中苯环具有大的共轭π键结构,乙烯基上同样具有一个共轭π键。同时,苯乙烯的分子结构中,碳原子处于同一个平面上,属于平面构型且具有一定的刚性,符合强荧光物质所具有的特征。因此通过三维荧光扫描结合苯乙烯的荧光特性,能快速测定水体中苯乙烯浓度及判断水体的污染程度。粉末活性炭可以有效地吸附去除水中的苯乙烯。当苯乙烯在源水中的浓度达到《生活饮用水卫生标准》规定的限值0.02 mg·L-1时,采用180目的粉末活性炭,投加量为15 mg·L-1时,苯乙烯浓度可降至0.001 mg·L-1,去除率达95.5%。     

Effect of electric field on the optical absorption of amorphous molecular semiconductors doped with polymethine dyes

The effect of a dc electric field on the evolution of the electronic absorption spectra of poly(N-epoxypropylcarbazole) (PEPC), poly(styrene) (PS), and poly(vinyl butyral) (PVB) films doped with methine dyes is investigated. It is revealed that these spectra in the absorption range of the dye undergo transformations depending on the dipole moment and the symmetry of the π-electron structure of dye molecules. The inference is made that the electron density in the dye molecule is redistributed in an external electric field. This redistribution gives rise to the electric field-induced anisotropy in the spatial distribution function of photogenerated electron-hole pairs in amorphous molecular semiconductors.     

Electronic spectra of aliphatic carbonyl compounds by electron impact spectroscopy: III. Unsaturated compounds

Electron impact energy loss spectra at an impact energy of 100 eV and a scattering angle of 2 degrees are presented for propenal (CH₂ = CHCHO) and methyl vinyl ketone (CH₂ = CHCOCH₃). The spectra are tentatively assigned using quantum defects and term values derived from ionization potentials measured by photoelectron spectroscopy. The duality of Rydberg and valence transition assignments in propenal is discussed. It is shown that a transition earlier assigned by Walsh to be π → π* is most probably a Rydberg transition.     

核磁共振法测定氟硅油的分子量和氟硅橡胶中乙烯基含量

用一系模型化合物归属了氟硅油和氟硅橡胶(聚甲基,r.r.r.三氟丙基硅氧烷,的¹H NMR谱,提出了一测定氟硅油分子量的方法。此法是基于端基的测量。对于甲基封端的氟硅油, x=6S_CH3(b)/S_CH3(a),M=156x+162对于羟基封端的氟硅油, x=((SCH₃(b))/SCH₃(a)+1)×2,M=156x+18 S_CH3(a)和S_CH3(b)分别为端甲基和其余的甲基的峰面积,x和M分别为聚合度和分子量。 使用高灵敏度的¹H NMR谱测定了氟硅橡胶中乙烯基含量和一系列共聚物的组成。 乙烯基 mole%=(S_-CH-CH2)/S_-CH2×(2)/3 S_-CH-CH2和S_-CH2分别是乙烯基和-CH₂基的峰面积。     

Nanosized multilayer films with concurrent photochromism and electrochromism based on Dawson-type polyoxometalate

An inorganic-organic composite multilayer film constructed of poly(vinyl alcohol) (PVA) with Dawson-type phosphotungstate anion [P₂W₁₈O₆₂]⁶⁻ (P₂W₁₈) and poly(allylamine hydrochloride) (PAH) were fabricated on quartz, ITO, silicon and CaF₂ substrates by a layer-by-layer self-assembly method. The film was provided with concurrent photochromism and electrochromism. IR spectra showed that the structure of the PVA was fully maintained in the multilayer film. And their photochromic and electrochromic properties were investigated by UV-vis spectra, cyclic voltammetry (CV), chronoamperometry (CA) measurement and X-ray photoelectron spectra (XPS). Atomic force microscopy (AFM) was used to investigate the surface topography. This study provides a new route to explore the possibility of application to polyoxometalate-based hybrid inorganic-organic materials.     

Preparation and characterization of vinyl-functionalized carbon spheres by allylamine

Carbon spheres (CSs) were synthesized by chemical vapor deposition in Ar atmosphere using acetylene as carbon source. Vinyl-functionalized CSs was prepared by nitric acid oxidation and reacting with allylamine. The morphology, structure and effect of functionalization of CSs at different processing steps were characterized using field-emission scanning electron microscopy, Fourier-transform IR spectra, X-ray photoelectron spectroscopic and thermogravimetric analysis. The results show that some oxygen-containing groups such as carboxyl and hydroxyl were produced on the surface of CSs by nitric acid treatment, and vinyl groups were introduced on the surface of CSs by allylamine treatment. Acid-treated CSs are well dispersed in water and allylamine-treated CSs are well dispersed in organic solvent, which is preconditions of reactivity of CSs in liquid phase and lays the basis for the application of CSs.     

Plasma modification of polypropylene surfaces and its alloying with styrene in situ

The treatment of polypropylene surfaces has been studied by dielectric barrier discharges plasma of Ar. The structure and morphology of polypropylene surfaces of Ar plasma modification are characterized by X-ray photoelectron spectroscopy, Fourier transform infrared spectrometers and scanning electron microscope. The modified by plasma treatment of iPP (isotactic polypropylene) surface properties have been examined in a determination of free radicals. The modified active surfaces of polypropylene can induce grafting copolymerization of styrene onto polypropylene. The structure of grafting copolymer is characterized and the grafting percent of styrene onto polypropylene is calculated. The homopolymer of styrene can be formed under grafting copolymerization of styrene onto polypropylene, which follows that the alloying of polypropylene with styrene is achieved in situ.     

壳聚糖基聚合物点荧光材料的合成及其对纸张的抗紫外老化性能

以壳聚糖、柠檬酸、N-(2-羟乙基)乙二胺为原料,通过水热法合成了壳聚糖基聚合点(P(CS-g-CA)Ds)荧光材料,发现柠檬酸的接枝可明显提高壳聚糖聚合物点的量子产率。对P(CS-g-CA)Ds进行了红外光谱、紫外光谱、光电子能谱、透射电镜、热分解性能及光致发光光谱表征,测试了不同p H值下的荧光强度。结果表明,P(CS-g-CA)Ds在p H=4~12范围内有良好的稳定性。通过测试紫外老化前后宣纸的羰基指数和乙烯基指数研究了P(CS-g-CA)Ds在宣纸中的应用,结果表明其具有良好的抗紫外老化性能。     

Photoelectron spectroscopy of brominated derivative of pyrimidine: 2-bromopyrimidine

In this study the brominated derivative of pyrimidine, 2-bromopyrimidine, was investigated by photoelectron spectroscopy. Outer valence photoelectron spectra recorded at 21.22, 45 and 100 eV photon energy for this compound are presented. The recorded spectra have a higher resolution than that previously reported in the literature. The bromine 3d and 3p edge photoelectron spectra have also been recorded in a photon impact experiment at 100 and 225 eV. All measurements were performed using Double Toroidal Coincidence Spectrometer showing its potential as a versatile apparatus for spectroscopic studies.     

氢原子在红外激光和极紫外脉冲组合场中的阈上电离

通过求解氢原子在强红外(IR)激光和极紫外（XUV）脉冲组合场中的三维含时薛定谔方程(TDSE),理论研究了XUV脉冲的加入对光电子能谱和二维光电子动量分布的影响.计算结果表明,与仅由红外场驱动的情况相比,组合场驱动下的光电子能谱和二维光电子动量分布中呈现出明显的干涉增强结构,干涉结构对XUV脉冲的强度、光子能量和时间延迟都有很强的依赖,该方案可实现高能阈上电离谱的选择性增强.     

有机锡化合物的光电子能谱（XPS）和质谱（MS）研究Ⅱ

本文报道了７种新合成的（Ｚ）－１－（２－（三芳基锡）乙烯基）－１－环庚醇有机锡化合物的ＸＰＳ和ＭＳ结果，通过ＸＰＳ讨论了化合物中不同取代基的存在，对锡内层电子的影响及取在对Ｏｈ结合能化学位移的作用，结果表明，卤素在这里起着得要的作用，通过ＭＳ和ＸＰＳ讨论了不同取代基对Ｏ→Ｓｎ键的影响。     

醋酸乙烯酯-二乙烯苯(VAc-DVB)共聚物微球表面功能化反应的红外光谱研究

利用FTIR和漫反射－傅里叶变换红外（DR－FTIR）方法对醋酸乙烯酯（VAc)-二乙烯苯（DVB）共聚微球表面功能化反应进行了研究。结果表明,DR－FTIR光谱比透射FTIR光谱能够获得更多的微球表面信息。     

Dynamic Interference Photoelectron Spectra in Double Ionization:Numerical Simulation of 1D Helium

We report our numerical simulation on the dynamic interference photoelectron spectra for a one-dimensional(1D) He model exposed to intense ultrashort extreme ultraviolet(XUV) laser pulses.The results demonstrate an unambiguous interference feature in the photoelectron spectra,and the interference is unveiled to originate from the dynamic Stark effect.The interference photoelectron spectra are prompted for intense sub-femtosecond XUV laser pulses in double ionization.The stationary phase picture is corroborated qualitatively in the two-electron system.The ability of probing the dynamic Stark effect by the photoelectron spectra in a pragmatic experiment of single-photon double ionization of He may shed light on further investigation on multi-electron atoms and molecules.     

Theoretical Investigation of Femtosecond-Resolved Photoelectron Spectrum of NaI Molecules

The time-resolved photoelectron spectra （TRPES） of NaI molecules are calculated by using the time-dependent wave packet method. Two different potential energy curves （adiabatic and diabatic） are adopted in the simulation. The third peak of the photoelectron spectra presented in the adiabatic calculation is induced by the reflection of the wave packet. The oscillating of the wave packet onto the diabatic energy curve is a decreasing process. The comparison of the photoelectron spectra between the two different calculations （adiabatic and diabatic） is presented.     

Angular distribution of the photoelectron spectrum of CO2, COS,CS2, N2O,H2O,and H2S

The photoelectron spectra of the triatomic molecules CO₂, COS, CS₂, N₂O, H₂O, and H₂S have been measured as a function of the angle θ between the direction of the incoming photon and outgoing photoelectron. The photoelectron spectra have been measured with a double-focusing electrostatic electron spectrometer to which has been attached a chamber containing a gas discharge lamp that can be freely rotated. (The photon source used was the 21.22 eV He I resonance line). From the dependence of intensity as a function of θ the angular parameter β was determined for each ionization band observed in the photoelectron spectra. A correlation was noted between the values of β and the molecular orbitals relative to the contributions of oxygen and sulfur atomic orbitals. Individual β values were also obtained for most of the vibrational bands seen in the photoelectron spectra. In most cases the vibrational structure showed little or no change in the angular parameter for a given electronic state. In certain cases, however, such as the fourth ionization band in CS₂, CO₂, and COS, rather sizeable changes in β were observed for the different vibrational bands.     

Interplay of intra-atomic and interatomic effects: an investigation of the 2p core level spectra of atomic Fe and molecular FeCl2

The 2p photoabsorption and photoelectron spectra of atomic Fe and molecular FeCl2 were studied by photoion and photoelectron spectroscopy using monochromatized synchrotron radiation and atomic or molecular beam technique. The atomic spectra were analyzed with configuration interaction calculations yielding excellent agreement between experiment and theory. For the analysis of the molecular photoelectron spectrum which shows pronounced interatomic effects, a charge transfer model was used, introducing an additional 3d(7) configuration. The resulting good agreement between the experimental and theoretical spectrum and the remarkable similarity of the molecular with the corresponding spectrum in the solid phase opens a way to a better understanding of the interplay of the interatomic and intra-atomic interactions in the 2p core level spectra of the 3d metal compounds.