/de/research/projects/2-04/highlights/MolStructDynamics-2005.html
2-04 Molecular Vibrational and Reaction Dynamics in the Condensed Phase
Project coordinator(s): E. Nibbering
Recent Highlights

Ultrafast molecular structural dynamics in the condensed phase

Highlights of project 2-04 in 2005

DateHighlight  Links to more Information
  
28 December 2005

Headline news:
The Nibbering (Max Born Institut for Nonlinear Optics and Short Pulse Spectroscopy) and Cusanovich (University of Arizona at Tucson) groups report on early time photoinduced structural changes in photoactive yellow protein as deduced from a combined polarization-sensitive infrared spectroscopic and quantum chemical calculational approach.


Link to original paper

 

One sentence summary:
After illumination of solution phase photoactive yellow protein the primary stages of photoinduced isomerization involve a full trans-to-cis rearrangement of the enone-moiety of the coumaric acid chromophore.

More details on page of subproject 4

 

 

 

After business meeting at Good Friends: Erik, Omar and Anwar
The Berlin team members celebrating the paper submission (left to right): Erik T. J. Nibbering, Omar F. Mohammed, Anwar Usman, Jens Dreyer and Karsten Heyne.

 

 

External funding by:


Cultural department and study mission (Kulturabteilung und Studienmission) of the Embassy of the Arabic Republic Egypt (Omar F. Mohammed).


Deutscher Akademischer Austausch Dienst (A. Usman).


National Institute of Health Grant No. GM66146 (Michael A. Cusanovich).


Contact: Erik T. J. Nibbering
Contact: Karsten Heyne
Contact: Michael A. Cusanovich
  
7 October 2005

Headline news:
The Nibbering (Max Born Institut for Nonlinear Optics and Short Pulse Spectroscopy) and Pines (Ben Gurion University of the Negev) groups report on the von Grotthuss-type hopping behaviour in the exchange of a proton between an acid and a base through a water bridge.

Pressemitteilung
Wasserstoff-Ionen beim Wandern erwischt

 

One sentence summary:
The transient appearance of the IR-active absorption band of the hydrated proton, with a frequency location (2570 cm-1 in H2O and 1850 cm-1 in D2O) marking a symmetric Eigen solvation core, (H3O+)L3 (with L hydrogen accepting groups), signals a sequential, von Grotthuss-type, proton hopping mechanism through water bridges in aqueous acid-carboxylic base reactions.

Press release
Hydrogen ions caught in the act of wandering

 

Persbericht
Waterstofionen tijdens het verspringen door licht geflitst

 


Link to original paper

Press release
in arabic

 

 

Press release
in hebrew

 

After business meeting at Good Friends: Erik, Omar and Anwar
The team members (left to right): Dina Pines, Ehud Pines, Jens Dreyer, Omar F. Mohammed and Erik T. J. Nibbering

More details on page of subproject 2

 

External funding by:


German-Israeli Foundation for Scientific Research and Development: GIF 722/01


Cultural department and study mission (Kulturabteilung und Studienmission) of the Embassy of the Arabic Republic Egypt (Omar F. Mohammed)


Contact: Erik T. J. Nibbering
Contact: Ehud Pines
  
30 September 2005

Headline news:
In a collaboration between the Elsaesser/Nibbering (Max Born Institut for Nonlinear Optics and Short Pulse Spectroscopy) and Miller (University of Toronto) groups the intertwining interactions of the O-H stretching vibration of acetic acid dimer with fingerprint vibrations and low frequency hydrogen bond modes have been disentangled with heterodyne detected infrared photon echo spectroscopy.


Link to original paper

 

One sentence summary:
Heterodyne-detected two-dimensional infrared photon echo correlation spectroscopy on acetic acid dimer provides direct insight into how the multi-level structure of the O-H stretching band is caused by Fermi resonances with combination overtone levels of fingerprint vibrations and by couplings with low-frequency hydrogen bond modes.

More details on page of subproject 1

 


Nils Huse and Michael L. Cowan during measurements in August 2004.


Barry D. Bruner, Nils Huse and Michael L. Cowan videoconferencing from Toronto.


Contact: Erik T. J. Nibbering
Contact: Thomas Elsaesser
Contact: R. J. Dwayne Miller


Link to the Dwayne Miller group home page at the University of Toronto

 

 

External funding by:


German Science Foundation: SFB450-B2 (Sonderforschungsbereich 450 "Analyse und Steuerung ultraschneller photoinduzierter Reaktionen")


Alexander von Humboldt Foundation (RJD Miller)


Canadian Foundation for Innovation


Natural Sciences and Engineering Research Council of Canada


Photonics Research Ontario


Link to SFB450 web-page
  
17 August 2005

Headline news:
In a collaboration between the Nibbering (Max Born Institut for Nonlinear Optics and Short Pulse Spectroscopy) and Tolbert (Georgia Institute of Technology) groups the excited state twisting rearrangement of the chromophore of green fluorscent protein has been determined.


Link to original paper

 

One sentence summary:
Polarization-sensitive spectroscopy of the chromophore of green fluorescent protein reveals the substantial structural rearrangement along the twisting coordinate upon electronic excitation.

More details on page of subproject 4

 

 

 

After business meeting at Good Friends: Erik, Omar and Anwar
Erik T. J. Nibbering, Omar F. Mohammed and Anwar Usman after final business meeting in Berlin-Charlottenburg.


Kyryl M. Solntsev, Laren M. Tolbert and Erik T. J. Nibbering after a business meeting at the ACS National Meeting in San Diego (March 2005). Photo also shows Ehud and Dina Pines.


Contact: Erik T. J. Nibbering
Contact: Laren M. Tolbert

 

External funding by:


Deutscher Akademischer Austausch Dienst (A. Usman)


Cultural department and study mission (Kulturabteilung und Studienmission) of the Embassy of the Arabic Republic Egypt (Omar F. Mohammed)


National Science Foundation through Grant No. CHE-0096941 (Laren M. Tolbert).

 
  
10 March 2005

Headline news:
A team of researchers at the Max Born Institut in Berlin and the University of Toronto have solved the long standing problem whether for liquid water O-H stretching vibrational line shapes are determined by slowly varying hydrogen bond networks or by rapidly fluctuating and interchanging configurations.

Pressemitteilung
"Das kurze Gedächtnis des Wassers"

Persbericht
"Zo vlug als water het geheugen verliezen"

 

One sentence summary:
The hydrogen bonding network of neat liquid water (H2O) shows rearrangements and energy redistribution on time scales much faster than any other liquid, underlining its particular role in Nature.

Press Release
"The short-term memory of water"

 


Link to original paper

Press Release
"Ultrafast Memory Loss and Energy Redistribution in the Hydrogen Bond Network of Liquid Water"

 

What are O-H stretching and librational modes?
Examples given here. (click on images for animated gif-files 6 MB)


Stretching vibration of the water molecule. An ultrashort infrared pulse excites the asymmetric stretching vibration of the angled water molecule (red: oxygen atom, gray: hydrogen atom). The water molecule is part of a network of hydrogen bonds between the hydrogen and oxygen atoms on neighboring molecules (small gray symbols). Shown are the elongations of the atoms during the stretching vibration with a vibrational period of 10 fs. (Animation by Jens Dreyer, MBI)


Librational motion of water. Librational motions change the relative orientation of water molecules and - thus - contribute to the loss of structural memory in the liquid. A period of the librational mode shown lasts approximately 40 fs. (Animation by Jens Dreyer, MBI)



Mikrokosmos:
Das geheimnisvolle Wesen Wasser

Article by Manon Baukhage in P.M. Magazin (in German)

 

Photos


R. J. Dwayne Miller, Erik T. J. Nibbering, Nils Huse, Michael L. Cowan and Barry D. Bruner during the first round of experiments in november 2003.


Nils Huse and Michael L. Cowan during measurements in August 2004.


More details on page of subproject 1

 


Michael L. Cowan, Barry D. Bruner, R. J. Dwayne Miller, Thomas Elsaesser and Erik T. J. Nibbering having a group meeting during the boat trip at CMDVS 2004 in Madison, Wisconsin.


Barry D. Bruner, Nils Huse and Michael L. Cowan videoconferencing from Toronto.


Contact: Erik T. J. Nibbering
Contact: Thomas Elsaesser
Contact: R. J. Dwayne Miller


Link to the Dwayne Miller group home page at the University of Toronto

 

External funding by:


German Science Foundation: SFB450-B2 (Sonderforschungsbereich 450 "Analyse und Steuerung ultraschneller photoinduzierter Reaktionen")


Alexander von Humboldt Foundation (RJD Miller)


Canadian Foundation for Innovation


Natural Sciences and Engineering Research Council of Canada


Photonics Research Ontario


Link to SFB450 web-page