Referring to a recent experiment, we theoretically study the process of a two-channel decay of the diatomic silver anion (), namely, the spontaneous electron ejection giving Ag2 + e− and the dissociation leading to Ag− + Ag. The ground state potential energy curves of the silver molecules of diatomic neutral and negative ions were calculated using proper pseudo-potentials and atomic basis sets. We also estimated the non-adiabatic electronic coupling between the ground state of and the ground state of Ag2 + e−, which, in turn, allowed us to estimate the minimal and mean values of the electron autodetachment lifetimes. The relative energies of the rovibrational levels allow the description of the spontaneous electron emission process, while the description of the rotational dissociation is treated with the quantum dynamics method as well as time-independent methods. The results of our calculations are verified by comparison with the experimental data.
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28 April 2021
Research Article|
April 22 2021
Spontaneous electron emission vs dissociation in internally hot silver dimer anions
Special Collection:
Quantum Dynamics with ab Initio Potentials
P. Jasik
;
P. Jasik
a)
1
Faculty of Applied Physics and Mathematics, Gdańsk University of Technology
, 80-233 Gdańsk, Poland
2
BioTechMed Center, Gdańsk University of Technology
, 80-233 Gdańsk, Poland
a)Author to whom correspondence should be addressed: patryk.jasik@pg.edu.pl
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J. Franz
;
J. Franz
1
Faculty of Applied Physics and Mathematics, Gdańsk University of Technology
, 80-233 Gdańsk, Poland
3
Advanced Materials Center, Gdańsk University of Technology
, 80-233 Gdańsk, Poland
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D. Kędziera
;
D. Kędziera
4
Faculty of Chemistry, Nicolaus Copernicus University
, 87-100 Toruń, Poland
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T. Kilich
;
T. Kilich
1
Faculty of Applied Physics and Mathematics, Gdańsk University of Technology
, 80-233 Gdańsk, Poland
3
Advanced Materials Center, Gdańsk University of Technology
, 80-233 Gdańsk, Poland
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J. Kozicki
;
J. Kozicki
1
Faculty of Applied Physics and Mathematics, Gdańsk University of Technology
, 80-233 Gdańsk, Poland
3
Advanced Materials Center, Gdańsk University of Technology
, 80-233 Gdańsk, Poland
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J. E. Sienkiewicz
J. E. Sienkiewicz
1
Faculty of Applied Physics and Mathematics, Gdańsk University of Technology
, 80-233 Gdańsk, Poland
3
Advanced Materials Center, Gdańsk University of Technology
, 80-233 Gdańsk, Poland
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a)Author to whom correspondence should be addressed: patryk.jasik@pg.edu.pl
Note: This paper is part of the JCP Special Topic on Quantum Dynamics with Ab Initio Potentials.
J. Chem. Phys. 154, 164301 (2021)
Article history
Received:
January 31 2021
Accepted:
April 05 2021
Citation
P. Jasik, J. Franz, D. Kędziera, T. Kilich, J. Kozicki, J. E. Sienkiewicz; Spontaneous electron emission vs dissociation in internally hot silver dimer anions. J. Chem. Phys. 28 April 2021; 154 (16): 164301. https://doi.org/10.1063/5.0046060
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