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Title: Retrieving transient conformational molecular structure information from inner-shell photoionization of laser-aligned molecules

We discuss a scheme to retrieve transient conformational molecular structure information using photoelectron angular distributions (PADs) that have averaged over partial alignments of isolated molecules. The photoelectron is pulled out from a localized inner-shell molecular orbital by an X-ray photon. We show that a transient change in the atomic positions from their equilibrium will lead to a sensitive change in the alignment-averaged PADs, which can be measured and used to retrieve the former. Exploiting the experimental convenience of changing the photon polarization direction, we show that it is advantageous to use PADs obtained from multiple photon polarization directions. Lastly, a simple single-scattering model is proposed and benchmarked to describe the photoionization process and to do the retrieval using a multiple-parameter fitting method.
 [1] ;  [1] ;  [2] ;  [3] ;  [1]
  1. Kansas State Univ., Manhattan, KS (United States)
  2. Nanjing Univ. of Science and Technology, Jiangsu (People's Republic of China)
  3. Texas A & M Univ., College Station, TX (United States)
Publication Date:
Grant/Contract Number:
Accepted Manuscript
Journal Name:
Scientific Reports
Additional Journal Information:
Journal Volume: 6; Journal ID: ISSN 2045-2322
Nature Publishing Group
Research Org:
Kansas State Univ., Manhattan, KS (United States)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United States
74 ATOMIC AND MOLECULAR PHYSICS; atomic and molecular interactions with photons; attosecond science
OSTI Identifier:
Alternate Identifier(s):
OSTI ID: 1461106