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Title: Off-resonance photoemission dynamics studied by recoil frame F1s and C1s photoelectron angular distributions of CH{sub 3}F

F1s and C1s photoelectron angular distributions are considered for CH{sub 3}F, a molecule which does not support any shape resonance. In spite of the absence of features in the photoionization cross section profile, the recoil frame photoelectron angular distributions (RFPADs) exhibits dramatic changes depending on both the photoelectron energy and polarization geometry. Time-dependent density functional theory calculations are also given to rationalize the photoionization dynamics. The RFPADs have been compared with the theoretical calculations, in order to assess the accuracy of the theoretical method and rationalize the experimental findings. The effect of finite acceptance angles for both ionic fragments and photoelectrons has been included in the calculations, as well as the effect of rotational averaging around the fragmentation axis. Excellent agreement between theory and experiment is obtained, confirming the good quality of the calculated dynamical quantities (dipole moments and phase shifts)
Authors:
;  [1] ;  [2] ;  [2] ; ;  [3] ;  [4]
  1. Dipartimento di Scienze Chimiche e Farmaceutiche, Università di Trieste, Via L. Giorgieri 1, I-34127 Trieste (Italy)
  2. (Italy)
  3. Photon Factory, Institute of Materials Structure Science, KEK, Oho 1-1, Tsukuba 305-0801 (Japan)
  4. Department of Chemistry, Hiroshima University, Higashi-Hiroshima, Hirosima 739-8526 (Japan)
Publication Date:
OSTI Identifier:
22255235
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Chemical Physics; Journal Volume: 140; Journal Issue: 4; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
74 ATOMIC AND MOLECULAR PHYSICS; 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; ACCURACY; ANGULAR DISTRIBUTION; CROSS SECTIONS; DENSITY FUNCTIONAL METHOD; DIPOLE MOMENTS; FRAGMENTATION; METHYL FLUORIDE; PHASE SHIFT; PHOTOEMISSION; PHOTOIONIZATION; POLARIZATION; RESONANCE; TIME DEPENDENCE