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Title: 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-

Journal Article · · Chinese Journal of Chemical Physics
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  1. UNIVERSITY PROGRAMS
  2. BATTELLE (PACIFIC NW LAB)
  3. Massachusetts Institute of Technology
+ Show Author Affiliations

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 splitting (SO) 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 detachment threshold with an identical electron kinetic energy (eKE) of 17.9 meV at three different detachment wavelengths, which are therefore assigned due 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.

Research Organization:
Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
Sponsoring Organization:
USDOE
DOE Contract Number:
AC05-76RL01830
OSTI ID:
1578147
Report Number(s):
PNNL-SA-135150
Journal Information:
Chinese Journal of Chemical Physics, Vol. 31, Issue 4
Country of Publication:
United States
Language:
English

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Related Subjects

Dibenzo-7-phosphanorbornadiene P-sulfide
electron structure
spin-orbit coupling
dipole-bound state
VMI photoelectron spectroscopy