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Molecular structure determination from x-ray scattering patterns of laser-aligned symmetric-top molecules
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/content/aip/journal/jcp/131/13/10.1063/1.3245404
2009-10-05
2014-10-23

Abstract

We investigate the molecular structure information contained in the x-ray diffraction patterns of an ensemble of rigid molecules aligned by an intense laser pulse at finite rotational temperature. The diffraction patterns are calculated at an x-ray photon energy of 20 keV to probe molecular structure at angstrom-scale resolution. We find that a structural reconstruction algorithm based on iterative phase retrieval fails to extract a reliable structure. However, the high atomic number of Br compared with C or F allows each diffraction pattern to be treated as a hologram. Using this approach, the azimuthal projection of the molecular electron density about the alignment axis may be retrieved.

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Scitation: Molecular structure determination from x-ray scattering patterns of laser-aligned symmetric-top molecules
http://aip.metastore.ingenta.com/content/aip/journal/jcp/131/13/10.1063/1.3245404
10.1063/1.3245404
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