共查询到20条相似文献,搜索用时 93 毫秒
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在355 nm激光作用下,利用多光子电离技术结合飞行时间质谱(TOF-MS)对苯甲醚分子进行了研究。实验结果表明苯甲醚分子的多光子电离机制属于母体分子电离-解离模型。通过对主要碎片离子的可能形成过程的讨论,得出该波长下母体分子离子解离的主要有两种通道,但是随激光能量的增强,甲基移除通道逐步占据优势成为主要通道。应用高斯软件采用HF/6-31G(d) 方法对苯甲醚分子和苯甲醚阳离子基态的几何构型进行优化得到其稳定构型,并计算了苯甲醚分子离子及其初级解离产物的能量。比较两条通道的碎片离子能量的变化,理论验证了实验中苯甲醚分子主要解离通道的合理性。 相似文献
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丙烯腈的真空紫外光电离研究 总被引:1,自引:0,他引:1
利用同步辐射真空紫外光和飞行时间质谱,研究了丙烯腈的真空紫外光电离解离过程。通过测量各离子的光电离效率曲线,获得了丙烯腈的电离势和各种碎片离子的出现势。分析了主要碎片离子的光电离解离通道,并结合有关热力学数据,算出它们的标准生成焓。并分析了它们的光电离解离通道及其随激发能量变化的竞争情况。 相似文献
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在超声射流条件下,利用真空紫外同步辐射光辐照和飞行时间质谱,研究溴乙烷光电离及解离电离的动力学。通过测量光电离及解离电离产生的碎片离子的光电离效率(PIE)曲线型分布获得了溴乙烷的电离势和各碎片离子的出现势,并结合标准的已确认的热力学数据,计算了离子的标准生成焓,估算了有关分子的键能及母体离子的解离能,并对溴乙烷分子真空紫外光解离电离通道进行了分析。 相似文献
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利用532nm的激光对碘乙烷(C2H5I)分子作了多光子电离解离(MPID)质谱(MS)研究。C2H3I分子吸收532nm激光双光子的能量激发跃迁至A带后,碎裂成中性碎片I原子及C2H5自由基,中性碎片再吸收光子经一系列电离解离形成碎片离子,分析了不同激光强度及加速电压下的产物离子与总的碳氢离子哟度比值变化,从而更深地揭示了C2H5I分子在532nm激光作用下的MPID机理。 相似文献
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利用同步辐射真空紫外光,研究了HFC-152a(CH3CHF2)的光电离和光解离过程,通过测量各离子的光电离效率曲线,得到了该分子的电离能(11.94±0.04eV)和所有碎片离子的出现势,运用GAUSSIAN-03程序计算了母体和碎片及相应离子的结构、电子态和能量. 结合理论计算的结果,分析了母体离子可能的光电离解离通道及相关通道的解离能.
关键词:
同步辐射
光电离
出现势
HFC-152a 相似文献
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本文报道了在280-287.5 nm区域内,通过共振增强多光子电离-时间飞行质谱和质量选择光电离激发谱对四氯化碳分子的紫外多光子解离通道进行的研究,并对部分碎片离子的分质量激发谱进行了标识和归属.结果表明, CCl_4共振吸收两个光子到达4s里德堡态,然后快速解离成CCl、C、CCl_2、CCl_3等中性碎片,其中CCl是最主要的解离通道,其次是C碎片产生通道,而CCl_2、CCl_3等碎片产生通道几乎可以忽略. 相似文献
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Reddish TJ Padmanabhan A MacDonald MA Zuin L Fernández J Palacios A Martín F 《Physical review letters》2012,108(2):023004
Dissociative photoionization (DPI) of randomly oriented H(2) molecules has been studied using linearly polarized synchrotron radiation at selected photon energies of 31, 33, and 35 eV. Large amplitude oscillations in the photoelectron asymmetry parameter β, as a function of electron energy, have been observed. The phase of these β oscillations are in excellent agreement with the results of recent close coupling calculations [Fernández and Martín, New J. Phys. 11, 043020 (2009)]. We show that the oscillations are the signature of interferences between the 1Q(1)?(1)Σ(u)(+) and 1Q(2)?(1)Π(u) doubly excited states decaying at different internuclear distances. The oscillations thus provide information about the classical paths followed by the nuclei. The presence of such oscillations is predicted to be a general phenomenon in DPI. 相似文献
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偶氮苯的同步辐射光电离研究 总被引:1,自引:0,他引:1
用同步辐射光电离质谱与符合技术的相结合测定了偶氮苯光电离效率谱,获得了该分子的电离势,导出了分子和分子离子中某些键的解离能以自由基C6H5N2的电离势。测得了不同光子能量激发下的质谱图,并对不同能量时偶氮苯的解离电离方式进行了分析。 相似文献
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Lei Gong Fuyi Liu Liusi Sheng Zhenya Wang 《Journal of Electron Spectroscopy and Related Phenomena》2010,182(3):134-140
The dissociative photoionization mechanism of l-menthone has been investigated with photoionization mass spectrometry using synchrotron radiation. The adiabatic ionization energy (IE) of l-menthone and the appearance energies (AE) of its major fragment ions C9H15O+, C9H17+, C8H16+, C7H11O+, C6H10O+, C6H9O+, C5H8O+, C5H10+, C4H6O+, C5H9+, C4H8+, C4H7+, C3H7+, C3H6+, C2H2O+, and CH3+ are determined with their photoionization efficiency (PIE) spectra in the photon energy region of ∼8−15.5 eV. Breakdown diagrams identifying the major products are presented. Dissociative photoionization channels for formation of these fragment ions are proposed based on comparison of determined experimental appearance energies and energies predicted with the DFT calculations. According to our results, the experimental dissociation energies are in fair agreement with the theoretical values of the possible photodissociation channels of C10H18O. 相似文献
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Near-threshold photoionization of hydrogenlike uranium studied in ion-atom collisions via the time-reversed process 总被引:1,自引:0,他引:1
Stöhlker T Ma X Ludziejewski T Beyer HF Bosch F Brinzanescu O Dunford RW Eichler J Hagmann S Ichihara A Kozhuharov C Krämer A Liesen D Mokler PH Stachura Z Swiat P Warczak A 《Physical review letters》2001,86(6):983-986
Radiative electron capture, the time-reversed photoionization process occurring in ion-atom collisions, provides presently the only access to photoionization studies for very highly charged ions. By applying the deceleration mode of the ESR storage ring, we studied this process in low-energy collisions of bare uranium ions with low- Z target atoms. This technique allows us to extend the current information about photoionization to much lower energies than those accessible for neutral heavy elements in the direct reaction channel. The results prove that for high- Z systems, higher-order multipole contributions and magnetic corrections persist even at energies close to the threshold. 相似文献
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The VUV double photoionizations of small molecules (NO,CO,CO2 ,CS2 ,OSC and NH3 ) were investigated with photoionization mass spectroscopy using synchrotron radiation. The double ionization energies of molecules were determined with photoionization efficiency spectroscopy. The total energies of these molecules and their parent dications (NO2+ ,CO2+ ,CO2+2 ,CS2+2 ,OSC2+ and NH2+3 ) were calculated using the Gaussian 03 program and Gaussian 2 calculations. Then,the adiabatic double ionization energies of the molecules were predicated by using high accuracy energy mode. The experimental double ionization energies of these small molecules were all in reasonable agreement with their respective calculated adiabatic double ionization energies. The mechanisms of double photoionization of these molecules were discussed based on a comparison of our experimental results with those predicted theoretically. The equilibrium geometries and harmonic vibrational frequencies of molecules and their parent dications were calculated by using the MP2 (full) method. The differences in configurations between these molecules and their parent dications were also discussed on the basis of theoretical calculations. 相似文献
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用合肥国家同步辐射实验室光化学站的实验装置研究了苯分子的光电离质谱,从所得光电离效率谱精确地定出了苯分子的电离势及苯离子的出现热,并首次报道了三个苯离子的离解能。 相似文献
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Volker Schmidt 《Pramana》1998,50(6):501-514
The power and beauty of energy- and angle-resolved two-electron emission in the double photoionization of atoms is demonstrated,
concentrating on the particular shapes of the angular correlation patterns of the triple differential cross section. The cases
selected are direct double photoionization in helium and neon as well as sequential double photoionization in xenon, both
for equal and unequal energies of the emitted electrons. 相似文献
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本文采用多组态Dirac-Hartree-Fock方法研究了温稠密等离子体环境中Al12+离子的光电离过程. 等离子体效应采用SM屏蔽势来模拟(Stanton和Murillo在2015年提出). 计算中固定标度温度1.3eV,在强耦合等离子体环境下,研究了等离子体密度对能级,连续态波函数以及光电离截面的影响. 通过与相同等离子体条件下的Debye-Hückel模型势计算的光电离截面对比,发现两种模型对应的结果中未同时出现势形共振峰,这是由于本文采用的屏蔽模型包含等离子体简并、有限温度对动能的梯度修正和量子交换关联效应,对光电离截面的大小和共振结构具有显著影响. 相似文献
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Yujie Zhao Yue Sun Jinda Sun Wenzheng Fang Xiaobin Shan Fuyi Liu Liusi Sheng Zhenya Wang 《Journal of Electron Spectroscopy and Related Phenomena》2009
VUV double photoionization of CHF2Cl in an energy region 32–40 eV was investigated with photoionization mass spectroscopy by using synchrotron radiation. The double ionization energy of CHF2Cl and appearance energies for its main fragment dications (CHCl2+, CF22+ and CHFCl2+), were determined with photoionization efficiency spectroscopy for the first time. The single point energies of CHF2Cl and its parent dication (CHF2Cl2+) were calculated using Gaussian 03 program and density functional theory (DFT and B3LYP functional). The vertical double ionization energy of CHF2Cl was predicted by using B3LYP method and empirical equation. According to our research results, the experimental double ionization energy of CHF2Cl is in good agreement with the theoretically calculated vertical double ionization energy. The mechanism of double photoionization of CHF2Cl was discussed based on the comparison of our experimental results with those predicted theoretically. 相似文献