Core level photoelectron spectroscopy of molecules: resonance, quantum interference, nonadiabatic effect and determination of the geometry of core ionized state

分子核心级光电子能谱：共振、量子干涉、非绝热效应和核心电离态几何形状的确定

• 批准号: 18340116
• 负责人: UEDA Kiyoshi
• 金额: $ 10.12万
• 依托单位: Tohoku University
• 依托单位国家: 日本
• 项目类别: Grant-in-Aid for Scientific Research (B)
• 财政年份: 2006
• 资助国家: 日本
• 起止时间: 2006 至 2007
• 项目状态: 已结题
• 来源: https://kaken.nii.ac.jp/grant/KAKENHI-PROJECT-18340116/
• 关键词: core level photoelectron spectroscopy; coincidence spectroscopy; shape resonance; angle resolved photoelectron spectroscopy; molecular frame

(1) For small molecules such as N_2, C_2H_2, C0_2, NO, and N_2O, we have elucidated influence of the shape resonance onto the vibrational population of core level photoelectron spectra by measuring them as a function of photon energies and comparing them with ab initio calculations.(2) We have obtained equilibrium geometry of the core ionized states in CO, N_2, CO_2, N_2O, BF_3, and CF_4 from the vibrational population of core-level photoelectron spectra that were not influenced by the shape resonances.(3) We have elucidated quantum interference effect (Young's double slit interference) and the influence of the photoelectron intramolecular elastic scattering and photoelectron recoil onto the double slit interference pattern by measuring the core-level photoelectron emission from N_2 by resolving gerade and ungerade core levels with the energy splitting of 100 meV.(4) We have established high-resolution electron-ion coincidence momentum imaging techniques as well as projection methods for the analysis of the coincidence data. Using these methods, we have obtained core-level photoelectron angular distributions in molecular frame (MF-PADs) for CO_2, NO, CF_4, N_2O and compared them with ab initio calculations. We have elucidated the influence of the shape resonance to the MF-PADs, dynamical core-hole localizations, validity of the two-step model, as well as intramolecular inelastic electron scattering as a mechanism for the formation of the photoelectron satellites.

(1)对于N_2、C_2H_2、CO_2、NO和N_2O等小分子，通过测量它们与光子能量的函数关系，并与从头算结果进行比较，阐明了形状共振对芯能级光电子谱振动布居的影响。(2)我们从不受形状共振影响的芯能级光电子谱的振动布居，得到了CO、N_2、CO_2、N_2O、BF_3和CF_4的芯电离态的平衡几何。(3)本文通过对100 meV能裂的gerade和ungerade芯能级的分辨，测量N_2的芯能级光电子发射，阐明了量子干涉效应（杨氏双缝干涉）以及光电子分子内弹性散射和光电子反冲对双缝干涉图样的影响。(4)我们已经建立了高分辨率的电子-离子符合动量成像技术以及投影方法的符合数据的分析。用这些方法计算了CO_2、NO、CF_4、N_2O的芯能级光电子角分布，并与从头算结果进行了比较。我们已经阐明了形状共振的MF-PAD的影响，动态的核心空穴局域化，两步模型的有效性，以及分子内的非弹性电子散射的光电子卫星的形成机制。

项目成果

Electron-ion multiple coincidence spectroscopy for small molecules and clusters

• DOI: 10.1016/j.elspec.2006.11.048
• 发表时间: 2007-05
• 期刊: Journal of Electron Spectroscopy and Related Phenomena
• 影响因子: 1.9
• 作者: N. Saito;X. Liu;Y. Morishita;I. Suzuki;K. Ueda

CF_4分子のF1s光イオン化における光電子角度分布

CF_4分子F1s光电离中的光电子角分布

• 发表时间: 2007
• 作者: 吉田香;Mario Koeppen;K. Kreidi;H. Fukuzawa;H. Fukuzawa;Y. Morishita;G. Prumper;H.Fukuzawa;A.N.Grum-Grzhimailo;K.Ueda;T.Hatamoto;R.R.Lucchese;M.N.Piancastelli;F.Gel' mukhanov;N.Saito;X.-J.Liu;X.-J.Liu;X.-J.Liu;S.Nagaoka;K.Ueda;T.Tanaka;H.Fukuzawa;X.-J.Liu;S.K.Semenov;Y.Morishita;Y.Morishita;G.Prumper;K. Ueda;坂井 健太郎
• 通讯作者: 坂井 健太郎

The molecular-frame electron emission by the interatomic Coulombic decay in the Ar dimer following photoinduced LMM Auger decay

光诱导 LMM 俄歇衰变后 Ar 二聚体中原子间库仑衰变的分子框架电子发射

• 发表时间: 2007
• 作者: 吉田香;Mario Koeppen;K. Kreidi;H. Fukuzawa;H. Fukuzawa;Y. Morishita;G. Prumper;H.Fukuzawa;A.N.Grum-Grzhimailo;K.Ueda;T.Hatamoto;R.R.Lucchese;M.N.Piancastelli;F.Gel' mukhanov;N.Saito;X.-J.Liu;X.-J.Liu;X.-J.Liu;S.Nagaoka;K.Ueda;T.Tanaka;H.Fukuzawa;X.-J.Liu;S.K.Semenov;Y.Morishita;Y.Morishita;G.Prumper;K. Ueda;坂井 健太郎;劉 小井;坂井 健太郎;寺西 孝説;福澤 宏宣;森下 雄一郎;福澤 宏宣;Y. Morishita;福澤 宏宣;H. Fukuzawa;X. -J. Liu;G. Pruemper;H. Fukuzawa;R. Puttner;N. Saito;N. Saito;O. Travnikova;X. -J. Liu;X. -J. Liu
• 通讯作者: X. -J. Liu

Role of the recoil effect in two-center interference in X-ray photoionization

• DOI: 10.1016/j.chemphys.2006.06.022
• 发表时间: 2006-10
• 期刊: Chemical Physics
• 影响因子: 2.3
• 作者: K. Ueda;X.J. Liu;G. Prümper;T. Lischke;T. Tanaka;M. Hoshino;Hiroshi Tanaka;I. Minkov;V. Kimberg;F. Gel’mukhanov

Vibrationally resolved partial cross sections and asymmetry parameters for oxygen K-shell photoionization of the CO_2 molecule

CO_2 分子氧 K 壳光电离的振动解析部分截面和不对称参数

• 发表时间: 2006
• 期刊: Journal of Physics. B, Atomic, molecular and optical physics 39・17
• 作者: 政田元太;永島航洋;岡野悠;荒生肇;竹野唯志;米澤英宏;古澤明;K. Hakuta;M. Hoshino
• 通讯作者: M. Hoshino