DICP OpenIR
Magnetic-Bottle and Velocity-Map Imaging Photoelectron Spectroscopy of APS(-) (A=C14H10 or Anthracene): Electron Structure, Spin-Orbit Coupling of APS(center dot), and Dipole-Bound State of APS(-)
Yuan, Qin-qin1,2,3; Yang, Zheng1; Li, Ren-zhong1; Transue, Wesley J.4; Li, Zhi-peng1; Jiang, Ling2; Govind, Niranjan5; Cummins, Christopher C.4; Wang, Xue-Bin1
Corresponding AuthorWang, Xue-Bin(xuebin.wang@pnnl.gov)
KeywordDibenzo-7-phosphanorbornadiene P-sulfide Electronic structure Spin-orbit coupling Dipole-bound state VMI photoelectron spectroscopy
Source PublicationCHINESE JOURNAL OF CHEMICAL PHYSICS
2018-08-01
ISSN1674-0068
DOI10.1063/1674-0068/31/cjcp1805114
Volume31Issue:4Pages:463-470
Funding ProjectU.S. Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences ; DOE's Office of Biological and Environmental Research ; National Science Foundation[CHE-1664799]
Funding OrganizationU.S. Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences ; U.S. Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences ; DOE's Office of Biological and Environmental Research ; DOE's Office of Biological and Environmental Research ; National Science Foundation ; National Science Foundation ; U.S. Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences ; U.S. Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences ; DOE's Office of Biological and Environmental Research ; DOE's Office of Biological and Environmental Research ; National Science Foundation ; National Science Foundation ; U.S. Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences ; U.S. Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences ; DOE's Office of Biological and Environmental Research ; DOE's Office of Biological and Environmental Research ; National Science Foundation ; National Science Foundation ; U.S. Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences ; U.S. Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences ; DOE's Office of Biological and Environmental Research ; DOE's Office of Biological and Environmental Research ; National Science Foundation ; National Science Foundation
WOS SubjectPhysics, Atomic, Molecular & Chemical
WOS Research AreaPhysics
WOS KeywordCORRELATED MOLECULAR CALCULATIONS ; PHOSPHORUS-CONTAINING ANALOG ; GAUSSIAN-BASIS SETS ; SODIUM PHOSPHAETHYNOLATE ; GROUND-STATE ; ANION ; CHEMISTRY ; ION ; HETEROCYCLES ; NA(OCP)
AbstractGaseous 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(center dot) 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(center dot) has a dipole moment of 3.31 Debye, large enough to support a dipole-bound electron.
Language英语
Funding OrganizationU.S. Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences ; U.S. Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences ; DOE's Office of Biological and Environmental Research ; DOE's Office of Biological and Environmental Research ; National Science Foundation ; National Science Foundation ; U.S. Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences ; U.S. Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences ; DOE's Office of Biological and Environmental Research ; DOE's Office of Biological and Environmental Research ; National Science Foundation ; National Science Foundation ; U.S. Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences ; U.S. Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences ; DOE's Office of Biological and Environmental Research ; DOE's Office of Biological and Environmental Research ; National Science Foundation ; National Science Foundation ; U.S. Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences ; U.S. Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences ; DOE's Office of Biological and Environmental Research ; DOE's Office of Biological and Environmental Research ; National Science Foundation ; National Science Foundation
WOS IDWOS:000445660500012
PublisherCHINESE PHYSICAL SOC
Citation statistics
Cited Times:1[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://cas-ir.dicp.ac.cn/handle/321008/166949
Collection中国科学院大连化学物理研究所
Corresponding AuthorWang, Xue-Bin
Affiliation1.Pacific Northwest Natl Lab, Phys Sci Div, 902 Battelle Blvd,Blvd,POB 999,MS K8-88, Richland, WA 99352 USA
2.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China
3.Univ Chinese Acad Sci, Beijing 100049, Peoples R China
4.MIT, Dept Chem, Cambridge, MA 02139 USA
5.Pacific Northwest Natl Lab, Environm Mol Sci Lab, POB 999,MS K8-91, Richland, WA 99352 USA
Recommended Citation
GB/T 7714
Yuan, Qin-qin,Yang, Zheng,Li, Ren-zhong,et al. Magnetic-Bottle and Velocity-Map Imaging Photoelectron Spectroscopy of APS(-) (A=C14H10 or Anthracene): Electron Structure, Spin-Orbit Coupling of APS(center dot), and Dipole-Bound State of APS(-)[J]. CHINESE JOURNAL OF CHEMICAL PHYSICS,2018,31(4):463-470.
APA Yuan, Qin-qin.,Yang, Zheng.,Li, Ren-zhong.,Transue, Wesley J..,Li, Zhi-peng.,...&Wang, Xue-Bin.(2018).Magnetic-Bottle and Velocity-Map Imaging Photoelectron Spectroscopy of APS(-) (A=C14H10 or Anthracene): Electron Structure, Spin-Orbit Coupling of APS(center dot), and Dipole-Bound State of APS(-).CHINESE JOURNAL OF CHEMICAL PHYSICS,31(4),463-470.
MLA Yuan, Qin-qin,et al."Magnetic-Bottle and Velocity-Map Imaging Photoelectron Spectroscopy of APS(-) (A=C14H10 or Anthracene): Electron Structure, Spin-Orbit Coupling of APS(center dot), and Dipole-Bound State of APS(-)".CHINESE JOURNAL OF CHEMICAL PHYSICS 31.4(2018):463-470.
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