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利用具有同步辐射源的反射式飞行时间质谱仪,研究甲基环己烷的真空紫外光电离和光解离. 观测到母体离子C7H14+和碎片离子C7H13+,C6H11+,C6H10+,C5H10+,C5H9+,C4H8+,C4H7+和C3H5+的光电离效率曲线. 测定甲基环己烷的电离能为9.80±0.03 eV,通过光电离效率曲线确定其碎片离子的出现势. 在B3LYP/6-31G(d)水平上对过渡态、中间体和产物离子的优化结构进行表征,并使用G3B3方法计算其能量. 提出主要碎片离子的形成通道. 分子内氢迁移和碳开环是甲基环己烷裂解途径中最重要的过程. 相似文献
3.
Within the effective mass approximation, the effects of the electric and intense laser fields on the binding energy and the photoionization cross-section of shallow-donor impurities in GaAs/GaAlAs parabolic quantum wires are investigated theoretically by using a variational method. The numerical results show that the electric and intense laser fields lead to significant changes in the binding energy and photoionization cross-section. 相似文献
4.
In recent years, increasing attention has been paid to “soft” photoionization (PI), which will potentially become a standard, universal ionization method. Tunable synchrotron vacuum ultraviolet (SVUV) light, a quasi-continuous light with good energy resolution and high photon flux, has proved an ideal source for “soft” PI in various research fields (e.g., combustion chemistry and molecular imaging).This review focuses on combinations of SVUV light with commonly used techniques (e.g., molecular-beam sampling, laser desorption, ion desorption, and thermal vaporization). These couplings have successful applications in flame chemistry, organic analysis, chemical imaging and aerosol mass spectrometry. 相似文献
5.
利用阈值光电子-光离子符合飞行时间质谱研究了氯甲烷分子在13至17eV激发能量范围内的光电离和光解离动力学.在此能量范围内,电离产生的CH3Cl+离子处于A2A1和B2E电子激发态.两电子态均为完全解离态,可生成CH3+和CH2Cl+碎片离子,其中CH3+是最主要的解离产物.拟合CH3+离子的符合飞行时间质谱峰形,可以得到CH3Cl+离子解离过程中释放的平动能分布,结果显示CH3Cl+离子A2A1态解离生成CH+3的过程接近直接解离机理,而B2E态的解离过程则具有统计解离的特征.此外,结合理论计算的势能面信息,我们推测在A2A1态出现的CH2Cl+碎片离子来源于CH3Cl分子自电离产生高振动激发的CH3Cl+(X2E)离子统计解离过程. 相似文献
6.
Yan-Jun Li Peng Wang Jing-Fu Ni Liang Meng Xiao-Bo Wang Chun-Qi Sheng Hong-Nian Li Wen-Hua Zhang Yang Xu Fa-Qiang Xu Jun-Fa Zhu 《Journal of Electron Spectroscopy and Related Phenomena》2011,184(7):414-419
We have measured and analyzed the photoemission spectra (PES) of a C70 film in the photon energy region from 13.4 eV to 98.4 eV. The photoelectron intensities of two C 2p π-derived features (denoted by A and B) oscillate regularly in the whole energy region with some fine structures below ∼30 eV. To obtain the detailed information of the oscillations, we have developed a sophisticated but practical procedure for intensity calculation. The procedure consists of two core concepts. The first is ascribing the PES features to their corresponding molecular orbitals with the help of density functional calculations. The second is a background subtraction algorithm. With this procedure, we obtained the oscillating behavior for individual features (A and B), which is by and large consistent with the predictions based on the spherical symmetric approximation although C70 has the ellipsoidal shape. Owing to the solid state effect, the oscillating amplitudes of the A/B intensity ratios are smaller than those of gas phase C70, but an orbital shift reported recently was not observed on our sample. The oscillating curve of a deeper feature, which consists of both σ and π states, are also reported. 相似文献
7.
Rare-earth-doped insulators and semiconductors play an important role in a wide range of modern optical technologies. Knowledge of the relative energies of rare-earth ions’ localized electronic states and the band states of the host crystal is important for understanding the properties of these materials and for determining the potential material performance in specific applications such as lasers, phosphors, and optical signal processing. Current understanding of the systematic variations of electron binding energies in these materials is reviewed with analysis of how lattice relaxation affects the results obtained from different experimental techniques. Detailed examples are presented for rare-earth-doped YAG and LaF3 material systems. A method for predicting the chemical shift of the 4f electrons of rare-earth impurities from the host crystal’s photoemission spectrum is also demonstrated. Furthermore, a simple model is presented that predicts host-dependent trends in the binding energies of the rare-earth ion states in materials ranging from the elemental metals to the ionic fluorides. By understanding the systematic changes in the relative energies for different states, different ions, and different host materials, insight is gained into electron transfer transitions, valence stability, and luminescence quenching that can accelerate the development of materials for optical applications. 相似文献
8.
Vacuum Ultraviolet Free-Electron Laser Photoionization Mass Spectrometry of Alpha-pinene Ozonolysis 下载免费PDF全文
Xiangyu Zang Zhaoyan Zhang Chong Wang Tiantong Wang Huijun Zheng Hua Xie Jiayue Yang Dongxu Dai Guorong Wu Weiqing Zhang Gang Li Xueming Yang Ling Jiang 《化学物理学报(中文版)》2022,35(2):281-288
9.
构建了一套电喷雾/紫外灯双电离源离子阱质谱仪系统,用于气体和液体样品的快速检测.仪器采用非连续大气压进样技术,通过夹管阀装置来同时完成电喷雾离子和中性气态样品的采集和传输.所配备的两种电离源适合不同的分析对象,在应用上具有一定的互补性,其中电喷雾源用于溶液中极性化合物的电离,而紫外电离源主要用于分析气态有机物.本研究选择了苯甲醚、甲苯、2,4-二甲基苯胺、精氨酸、利血平和阿斯巴甜等不同类型的样品,测试了仪器在使用不同电离模式下的工作性能.结果表明,电喷雾源和紫外光电离源可用于不同类型样品的电离,在分析2,4-二甲基苯胺时还能分别生成不同类型的分子离子.两种电离源在工作时互不干扰,既能单独使用,也能同时开启,可根据检测需求随意切换工作模式,获得更全面的样品成分信息.双离子源设计是扩展小型质谱仪应用范围的一种有效途径,这种方案不会明显增加仪器的体积,却能提供更多样化的分析功能,满足对不同类型样品的检测需求. 相似文献
10.
Pietro Franceschi Roland Thissen Odile Dutuit Christian Alcaraz Heloise Soldi-Lose Davide Bassi Daniela Ascenzi Paolo Tosi Jan Zabka Zdenek Herman Marcello Coreno Monica de Simone 《International journal of mass spectrometry》2009,280(1-3):119
The long-lived excited states of doubly charged rare gases can markedly affect their reactivity. In this paper we demonstrate the presence of strong state-specific effects in the charge exchange of Ar2+ (3P, 1D and 1S) with several neutral targets (He, Ne, Kr, Xe, D2, and CH4). State sensitive measurements have been performed by producing the different Ar2+ electronic states via tunable synchrotron radiation (Elettra-Trieste, Italy and SuperACO-Orsay, France). From the product ion yield data of charge transfer, state-selected total cross-sections have been deduced. Using the state-specific reactivity of Ar2+ towards different neutral targets, it has been possible to extract the photon-energy-dependent production branching of the three doubly charged states and to investigate the autoionization dynamics of neutral or singly charged Ar in the vicinity of the double ionization threshold. 相似文献