Ultrafast imaging of molecular dynamics with electron diffraction (Conference Presentation)

2017 ◽  
Author(s):  
Martin Centurion ◽  
Jie Yang ◽  
Markus Guehr ◽  
Xiaozhe Shen ◽  
Renkai Li ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Electron Diffraction ◽  
Ultrafast Imaging

Characterization of Amorphous Materials by Electron Diffraction and Atomistic Modeling

2000 ◽  
Vol 6 (4) ◽  
pp. 329-334 ◽  
Author(s):  
D.J.H. Cockayne ◽  
D.R. McKenzie ◽  
W. McBride ◽  
C. Goringe ◽  
D. McCulloch
Keyword(s):  
Molecular Dynamics ◽  
Electron Diffraction ◽  
Diffraction Data ◽  
Amorphous Materials ◽  
Atomistic Modeling ◽  
Amorphous Structures

AbstractThe technique of energy selected electron diffraction gives information about amorphous structures which can be used to characterize amorphous materials in terms of their structure. The diffraction data can be used to refine models obtained using molecular dynamics, resulting in physically reasonable models consistent with the diffraction data.

Laser-induced electron diffraction: a new tool for probing ultrafast molecular dynamics

1996 ◽  
Vol 259 (3-4) ◽  
pp. 313-320 ◽  
Author(s):  
T. Zuo ◽  
A.D. Bandrauk ◽  
P.B. Corkum
Keyword(s):  
Molecular Dynamics ◽  
Electron Diffraction

Time-resolved electron diffraction to study photoinduced molecular dynamics at single crystal surfaces

1995 ◽  
Author(s):  
Martin Aeschlimann ◽  
Edward L. Hull ◽  
C. A. Schmuttenmaer ◽  
J. Cao ◽  
Y. Gao ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Electron Diffraction ◽  
Single Crystal ◽  
Crystal Surfaces ◽  
Time Resolved ◽  
Single Crystal Surfaces

Unsupported nanometer-sized copper clusters studied by electron diffraction and molecular dynamics

1998 ◽  
Vol 58 (8) ◽  
pp. 4917-4926 ◽  
Author(s):  
D. Reinhard ◽  
B. D. Hall ◽  
P. Berthoud ◽  
S. Valkealahti ◽  
R. Monot
Keyword(s):  
Molecular Dynamics ◽  
Electron Diffraction ◽  
Copper Clusters

Ultrafast Imaging of Molecules with Electron Diffraction

2021 ◽  
Vol 73 (1) ◽  
Author(s):  
Martin Centurion ◽  
Thomas J.A. Wolf ◽  
Jie Yang
Keyword(s):  
Electron Diffraction ◽  
Gas Phase ◽  
Structural Dynamics ◽  
Mechanical Energy ◽  
Annual Review ◽  
Publication Date ◽  
Ultrafast Electron Diffraction ◽  
Ultrafast Imaging ◽  
Ideal Tool ◽  
Nuclear Geometry

Photoexcited molecules convert light into chemical and mechanical energy through changes in electronic and nuclear structure that take place on femtosecond timescales. Gas phase ultrafast electron diffraction (GUED) is an ideal tool to probe the nuclear geometry evolution of the molecules and complements spectroscopic methods that are mostly sensitive to the electronic state. GUED is a passive probing tool that does not alter the molecular properties during the probing process and is sensitive to the spatial distribution of charge in the molecule, including both electrons and nuclei. Improvements in temporal resolution have enabled GUED to capture coherent nuclear motions in molecules in the excited and ground electronic states with femtosecond and subangstrom resolution. Here we present the basic theory of GUED and explain what information is encoded in the diffraction signal, review how GUED has been used to observe coherent structural dynamics in recent experiments, and discuss the advantages and limitations of the method. Expected final online publication date for the Annual Review of Physical Chemistry, Volume 73 is April 2022. Please see http://www.annualreviews.org/page/journal/pubdates for revised estimates.

Simultaneous observation of nuclear and electronic dynamics by ultrafast electron diffraction

Science ◽  
2020 ◽  
Vol 368 (6493) ◽  
pp. 885-889 ◽  
Author(s):  
Jie Yang ◽  
Xiaolei Zhu ◽  
J. Pedro F. Nunes ◽  
Jimmy K. Yu ◽  
Robert M. Parrish ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Electron Diffraction ◽  
Structural Changes ◽  
Large Angle ◽  
Transient Signal ◽  
Ultrafast Electron Diffraction ◽  
Simultaneous Observation ◽  
Single Experiment ◽  
Nuclear Dynamics ◽  
Electronic Motion

Simultaneous observation of nuclear and electronic motion is crucial for a complete understanding of molecular dynamics in excited electronic states. It is challenging for a single experiment to independently follow both electronic and nuclear dynamics at the same time. Here we show that ultrafast electron diffraction can be used to simultaneously record both electronic and nuclear dynamics in isolated pyridine molecules, naturally disentangling the two components. Electronic state changes (S1→S0 internal conversion) were reflected by a strong transient signal in small-angle inelastic scattering, and nuclear structural changes (ring puckering) were monitored by large-angle elastic diffraction. Supported by ab initio nonadiabatic molecular dynamics and diffraction simulations, our experiment provides a clear view of the interplay between electronic and nuclear dynamics of the photoexcited pyridine molecule.

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