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

Wang, Xu; Le, Anh -Thu; Yu, Chao; Lucchese, R. R.; Lin, C. D.

doi:10.1038/srep23655

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

Journal Article · Wed Mar 30 00:00:00 EDT 2016 · Scientific Reports

DOI:https://doi.org/10.1038/srep23655· OSTI ID:1255121

Wang, Xu ^[1]; Le, Anh -Thu ^[1]; Yu, Chao ^[2]; Lucchese, R. R. ^[3]; Lin, C. D. ^[1]

Kansas State Univ., Manhattan, KS (United States)
Nanjing Univ. of Science and Technology, Jiangsu (People's Republic of China)
Texas A & M Univ., College Station, TX (United States)

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. 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.

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Research Organization:: Kansas State Univ., Manhattan, KS (United States); Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: FG02-86ER13491

OSTI ID:: 1255121

Alternate ID(s):: OSTI ID: 1461106

Journal Information:: Scientific Reports, Vol. 6; ISSN 2045-2322

Publisher:: Nature Publishing GroupCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 9 works

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Structure determination of molecules in an alignment laser field by femtosecond photoelectron diffraction using an X-ray free-electron laser Minemoto, Shinichirou; Teramoto, Takahiro; Akagi, Hiroshi Scientific Reports, Vol. 6, Issue 1 https://doi.org/10.1038/srep38654	journal	December 2016
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Time-resolved photoelectron angular distributions from nonadiabatically aligned CO ₂ molecules with SX-FEL at SACLA Minemoto, Shinichirou; Shimada, Hiroyuki; Komatsu, Kazma Journal of Physics Communications, Vol. 2, Issue 11 https://doi.org/10.1088/2399-6528/aaedd3	journal	November 2018
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