Repository logo

Infoscience

  • English
  • French
Log In
Logo EPFL, École polytechnique fédérale de Lausanne

Infoscience

  • English
  • French
Log In
  1. Home
  2. Academic and Research Output
  3. Journal articles
  4. Ultrafast anisotropic x-ray scattering in the condensed phase
 
Loading...
Thumbnail Image
research article

Ultrafast anisotropic x-ray scattering in the condensed phase

Penfold, T. J.  
•
Tavernelli, I.  
•
Abela, R.
Show more
2012
New Journal Of Physics

The advent of x-ray free electron lasers offers new opportunities for x-ray scattering (XRS) studies of ultrafast molecular dynamics in liquids, which have so far been limited to the 100 ps resolution of synchrotrons. In particular, anisotropic XRS induced by photoselection, using a linearly polarized pump pulse, can enhance the contrast of the signal from excited molecules against the diffuse background and allows the probing of their vibrational and rotational dynamics. Here, we present a computational approach for calculating transient scattering intensities, based on molecular dynamics simulations. This is applied to the study of the excited state dynamics of molecular iodine dissolved in n-hexane. We report that at short times the transient XRS patterns reflect the evolving vibrational and rotational dynamics of I-2, even when the disordered solvent environment is included. We then use these simulations to derive the anticipated signal-to-noise ratio for a large class of model diatomic systems in solution, indicating that an S/N >= 1 will be possible from single-shot experiments in weakly scattering solvents.

  • Details
  • Metrics
Type
research article
DOI
10.1088/1367-2630/14/11/113002
Web of Science ID

WOS:000310725800001

Author(s)
Penfold, T. J.  
•
Tavernelli, I.  
•
Abela, R.
•
Chergui, M.  
•
Rothlisberger, Ursula  
Date Issued

2012

Publisher

Institute of Physics (IoP) and Deutsche Physikalische Gesellschaft

Published in
New Journal Of Physics
Volume

14

Article Number

113002

Peer reviewed

REVIEWED

Written at

EPFL

EPFL units
LCBC  
LSU  
Available on Infoscience
February 27, 2013
Use this identifier to reference this record
https://infoscience.epfl.ch/handle/20.500.14299/89262
Logo EPFL, École polytechnique fédérale de Lausanne
  • Contact
  • infoscience@epfl.ch

  • Follow us on Facebook
  • Follow us on Instagram
  • Follow us on LinkedIn
  • Follow us on X
  • Follow us on Youtube
AccessibilityLegal noticePrivacy policyCookie settingsEnd User AgreementGet helpFeedback

Infoscience is a service managed and provided by the Library and IT Services of EPFL. © EPFL, tous droits réservés