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-

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

作者机构：Physical Sciences DivisionPacific Northwest National Laboratory902 Battelle BoulevardP.O.Box 999MS K8-88RichlandWashington 99352USA State Key Laboratory of Molecular Reaction DynamicsDalian Institute of Chemical PhysicsChinese Academy of SciencesDalian 115023China University of Chinese Academy of SciencesBe~iing 100049China Department of ChemistryMassachusetts Institute of TechnologyCambridgeMA 02139USA Environmental Molecular Sciences LaboratoryPacific Northwest National LaboratoryP.O.Box 999MS K8-91Richland WA 09352USA 

出 版 物：《Chinese Journal of Chemical Physics》 (化学物理学报（英文）)

年 卷 期：2018年第31卷第4期

页      面：463-470,614页

核心收录：

学科分类：081704[工学-应用化学] 07[理学] 08[工学] 0817[工学-化学工程与技术] 0703[理学-化学] 070301[理学-无机化学] 

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) 

主　　题：Dibenzo-7-phosphanorbornadiene P-sulfide Electronic structure Spin-orbitcoupling Dipole-bound state VMI photoelectron spectroscopy 

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.