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-  

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（英文）

作　　者：Qin-qin Yuan Zheng Yang Ren-zhong Li Wesley J.Transue Zhi-peng Li LingJiang Niranjan Govinde Christopher C.Cumminsa Xue-Bin Wang 袁勤勤;杨正;李仁忠;Wesley J. Transue;李志鹏;江凌;Niranjan Govind;Christopher C. Cumminsd;王学斌(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;中科院大连化学物理研究断分子反应动力学国家重点实验室,大连116023;中国科学院大学,北京100049;美国麻省理工学院化学系,马萨诸塞州,剑桥02139;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)

机构地区：[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 115023,China [3]University of Chinese Academy of Sciences,Be~iing 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 09352,USA

出　　处：《Chinese Journal of Chemical Physics》2018年第4期463-470,614,共9页化学物理学报（英文）

基　　金：supported by the U.S.Department of Energy(DOE),Office of Science,Office of Basic EnergySciences,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;supported by the National Science Foundation under Grant(No.CHE-1664799)

摘　　要：Gaseous dibenzo-7-phosphanorbornadiene P-sulfide anions APS （A C14H10 or anthracene） were generated via electrospray ionization, and characterized by magnetic-bottle photoelec- tron 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 （2.62-4-0.05） eV and SO splitting （43-4-7） 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.

关 键 词：Dibenzo-7-phosphanorbornadiene P-sulfide Electronic structure Spin-orbitcoupling Dipole-bound state VMI photoelectron spectroscopy 

分 类 号：O613.62[理学—无机化学]