引用本文:
【打印本页】   【HTML】   【下载PDF全文】   View/Add Comment  【EndNote】   【RefMan】   【BibTex】
←前一篇|后一篇→ 过刊浏览    高级检索
本文已被:浏览 722次   下载 310 本文二维码信息
码上扫一扫!
分享到: 微信 更多
Magnetic-Bottle and Velocity-Map Imaging Photoelectron Spectroscopy of APS- (A=C14H10 or Anthracene): Electron Structure, Spin-Orbit Coupling of APS·, and Dipole-Bound State of APS-
Qin-qin Yuan1,2,3, Zheng Yang1, Ren-zhong Li1, Wesley J. Transue4, Zhi-peng Li1, Ling Jiang2, Niranjan Govind5, Christopher C. Cummins4, Xue-Bin Wang1
1.Physical Sciences Division, Pacific Northwest National Laboratory, 902 Battelle Boulevard, P. O. Box 999, MS K8-88, Richland, Washington 99352, USA;2.State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, China;3.University of Chinese Academy of Sciences, Beijing 100049, China;4.Department of Chemistry, Massachusetts Institute of Technology, Cambridge, MA 02139, USA;5.Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, P. O. Box 999, MS K8-91, Richland WA 99352, USA
Abstract:
Gaseous dibenzo-7-phosphanorbornadiene P-sulfide anions APS-(A=C14H10 or anthracene) were generated via electrospray ionization, and characterized by magnetic-bottle photoelectron spectroscopy, velocity-map imaging (VMI) photoelectron spectroscopy, and quantum chemical calculations. The electron affinity (EA) and spin-orbit (SO) splitting of the APS· radical are determined from the photoelectron spectra and Franck-Condon factor simulations to be EA=(2.62±0.05) eV and SO splitting=(43±7) meV. VMI photoelectron images show strong and sharp peaks near the detachment threshold with an identical electron kinetic energy (eKE) of 17.9 meV at three different detachment wavelengths, which are therefore assigned to autodetachment from dipole-bound anion states. The B3LYP/6-31++G(d,p) calculations indicate APS· has a dipole moment of 3.31 Debye, large enough to support a dipole-bound electron.
Key words:  Dibenzo-7-phosphanorbornadiene P-sulfide  Electronic structure  Spin-orbit coupling  Dipole-bound state  VMI photoelectron spectroscopy
FundProject:The work was supported by the U.S. Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences, and was performed using EMSL, a national scientific user facility sponsored by DOE's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory, which is operated by Battelle Memorial Institute for the DOE. The experimental work conducted at MIT was supported by the National Science Foundation under Grant (No.CHE-1664799).
磁瓶式光电子能谱和速度成像光电子能谱对APS-(A=C14H10,蒽)的研究:电子结构,APS·的自旋轨道耦合和APS-的自旋偶极态
袁勤勤1,2,3, 杨正1, 李仁忠1, Wesley J. Transue4, 李志鹏1, 江凌2, Niranjan Govind5, Christopher C. Cummins4, 王学斌1
1.美国西北太平洋国家实验室物理科学系, 华盛顿州, 里奇兰 99352;2.中科院大连化学物理研究所分子反应动力学国家重点实验室, 大连 116023;3.中国科学院大学, 北京 100049;4.美国麻省理工学院化学系, 马萨诸塞州, 剑桥 02139;5.美国西北太平洋国家实验室环境分子科学实验室, 华盛顿州, 里奇兰 99352
摘要:
关键词:  
DOI:10.1063/1674-0068/31/cjcp1805114
分类号: