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'Making the molecular movie': first frames

Miller, R. J. Dwayne; Ernstorfer, Ralph; Harb, Maher LU ; Gao, Meng; Hebeisen, Christoph T.; Jean-Ruel, Hubert; Lu, Cheng; Moriena, Gustavo and Sciaini, German (2010) In Acta Crystallographica. Section A: Foundations of Crystallography 66. p.137-156
Abstract
Recent advances in high-intensity electron and X-ray pulsed sources now make it possible to directly observe atomic motions as they occur in barrier-crossing processes. These rare events require the structural dynamics to be triggered by femtosecond excitation pulses that prepare the system above the barrier or access new potential energy surfaces that drive the structural changes. In general, the sampling process modifies the system such that the structural probes should ideally have sufficient intensity to fully resolve structures near the single-shot limit for a given time point. New developments in both source intensity and temporal characterization of the pulsed sampling mode have made it possible to make so-called 'molecular movies',... (More)
Recent advances in high-intensity electron and X-ray pulsed sources now make it possible to directly observe atomic motions as they occur in barrier-crossing processes. These rare events require the structural dynamics to be triggered by femtosecond excitation pulses that prepare the system above the barrier or access new potential energy surfaces that drive the structural changes. In general, the sampling process modifies the system such that the structural probes should ideally have sufficient intensity to fully resolve structures near the single-shot limit for a given time point. New developments in both source intensity and temporal characterization of the pulsed sampling mode have made it possible to make so-called 'molecular movies', i.e. measure relative atomic motions faster than collisions can blur information on correlations. Strongly driven phase transitions from thermally propagated melting to optically modified potential energy surfaces leading to ballistic phase transitions and bond stiffening are given as examples of the new insights that can be gained from an atomic level perspective of structural dynamics. The most important impact will likely be made in the fields of chemistry and biology where the central unifying concept of the transition state will come under direct observation and enable a reduction of high-dimensional complex reaction surfaces to the key reactive modes, as long mastered by Mother Nature. (Less)
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organization
publishing date
type
Contribution to journal
publication status
published
subject
in
Acta Crystallographica. Section A: Foundations of Crystallography
volume
66
pages
137 - 156
publisher
Wiley-Blackwell
external identifiers
  • wos:000274614000003
  • scopus:77249093197
ISSN
0108-7673
DOI
10.1107/S0108767309053926
language
English
LU publication?
yes
id
d9a6eb3f-ffc8-4257-9496-24a291fd886d (old id 1568731)
date added to LUP
2010-03-17 13:31:33
date last changed
2018-06-24 04:06:39
@article{d9a6eb3f-ffc8-4257-9496-24a291fd886d,
  abstract     = {Recent advances in high-intensity electron and X-ray pulsed sources now make it possible to directly observe atomic motions as they occur in barrier-crossing processes. These rare events require the structural dynamics to be triggered by femtosecond excitation pulses that prepare the system above the barrier or access new potential energy surfaces that drive the structural changes. In general, the sampling process modifies the system such that the structural probes should ideally have sufficient intensity to fully resolve structures near the single-shot limit for a given time point. New developments in both source intensity and temporal characterization of the pulsed sampling mode have made it possible to make so-called 'molecular movies', i.e. measure relative atomic motions faster than collisions can blur information on correlations. Strongly driven phase transitions from thermally propagated melting to optically modified potential energy surfaces leading to ballistic phase transitions and bond stiffening are given as examples of the new insights that can be gained from an atomic level perspective of structural dynamics. The most important impact will likely be made in the fields of chemistry and biology where the central unifying concept of the transition state will come under direct observation and enable a reduction of high-dimensional complex reaction surfaces to the key reactive modes, as long mastered by Mother Nature.},
  author       = {Miller, R. J. Dwayne and Ernstorfer, Ralph and Harb, Maher and Gao, Meng and Hebeisen, Christoph T. and Jean-Ruel, Hubert and Lu, Cheng and Moriena, Gustavo and Sciaini, German},
  issn         = {0108-7673},
  language     = {eng},
  pages        = {137--156},
  publisher    = {Wiley-Blackwell},
  series       = {Acta Crystallographica. Section A: Foundations of Crystallography},
  title        = {'Making the molecular movie': first frames},
  url          = {http://dx.doi.org/10.1107/S0108767309053926},
  volume       = {66},
  year         = {2010},
}