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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 Yuan,Zheng Yang,Ren-zhong Li,Wesley J. Transue,Zhi-peng Li,Ling Jiang,Niranjan Govind,Christopher C. Cummins*,Xue-Bin Wang*
Author NameAffiliationE-mail
Qin-qin Yuan Physical Sciences Division, Pacific Northwest National Laboratory, 902 Battelle Boulevard, P. O. Box 999, MS K8-88, Richland, Washington 99352, USA;State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, China;University of Chinese Academy of Sciences, Beijing 100049, China  
Zheng Yang Physical Sciences Division, Pacific Northwest National Laboratory, 902 Battelle Boulevard, P. O. Box 999, MS K8-88, Richland, Washington 99352, USA  
Ren-zhong Li Physical Sciences Division, Pacific Northwest National Laboratory, 902 Battelle Boulevard, P. O. Box 999, MS K8-88, Richland, Washington 99352, USA  
Wesley J. Transue Department of Chemistry, Massachusetts Institute of Technology, Cambridge, MA 02139, USA  
Zhi-peng Li Physical Sciences Division, Pacific Northwest National Laboratory, 902 Battelle Boulevard, P. O. Box 999, MS K8-88, Richland, Washington 99352, USA  
Ling Jiang State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, China  
Niranjan Govind Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, P. O. Box 999, MS K8-91, Richland WA 99352, USA  
Christopher C. Cummins* Department of Chemistry, Massachusetts Institute of Technology, Cambridge, MA 02139, USA xuebin.wang@pnnl.gov 
Xue-Bin Wang* Physical Sciences Division, Pacific Northwest National Laboratory, 902 Battelle Boulevard, P. O. Box 999, MS K8-88, Richland, Washington 99352, USA ccummins@mit.edu 
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,杨正,李仁忠,Wesley J. Transue,李志鹏,江凌,Niranjan Govind,Christopher C. Cummins*,王学斌*
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DOI:10.1063/1674-0068/31/cjcp1805114
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