Temporary Anion Resonances of Pyrene: A 2D Photoelectron Imaging and Computational Study

2021 ◽  
Author(s):  
Aude Lietard ◽  
Jan R. R. Verlet ◽  
Stephen Slimak ◽  
Kenneth D. Jordan
Keyword(s):  
Computational Study ◽  
Photoelectron Imaging

scholarly journals Electronic structure of the para-dinitrobenzene radical anion: a combined 2D photoelectron imaging and computational study

2018 ◽  
Vol 20 (37) ◽  
pp. 24019-24026 ◽  
Author(s):  
Cate S. Anstöter ◽  
Thomas E. Gartmann ◽  
Laurence H. Stanley ◽  
Anastasia V. Bochenkova ◽  
Jan R. R. Verlet
Keyword(s):  
Electronic Structure ◽  
Ab Initio ◽  
Photoelectron Spectroscopy ◽  
Radical Anion ◽  
Computational Study ◽  
Electron Attachment ◽  
Dissociative Electron Attachment ◽  
Photoelectron Imaging ◽  
High Level

2D photoelectron spectroscopy combined with high-level ab initio calculations provides insights into the dissociative electron attachment of para-dinitrobenzene.

scholarly journals On the Role of the Electron-Dipole Interaction in Photodetachment Angular Distributions

2021 ◽  
Author(s):  
C. Annie Hart ◽  
Justin Lyle ◽  
Joseph Spellberg ◽  
Anna I. Krylov ◽  
Richard Mabbs
Keyword(s):  
Computational Study ◽  
Free Particle ◽  
Dipole Interaction ◽  
Chem Phys ◽  
Point Dipole ◽  
Photoelectron Imaging ◽  
Photodetachment Cross Section ◽  
Molecule Interactions ◽  
Near Threshold

The importance of including long-range electron-molecule interactions in treatments of photodetachment/photoionization is demonstrated. A combined experimental and computational study of CN− detachment is presented in which near threshold anisotropy parameters (β) are measured via photoelectron imaging. Calculated β values, based on an EOM-IP-CCSD/aug-cc-pVTZ Dyson orbital, are obtained using free particle and point dipole models. The results demonstrate the influence of the molecular dipole moment in the detachment process, and provide an explanation of the near threshold behavior of the overall photodetachment cross section in CN− detachment [J. Chem. Phys. 2020, 153, 184309]

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