/en/research/projects/2-04/highlights/MolStructDynamics-2000-1996.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 (formerly project II.11) in 1996-2000

DateHighlight  Links to more Information
  
22 March 2000 Headline news:
The combined approach of ultrafast vibrational spectroscopy and high-level excited-state CASSCF calculations provides valuable new information on the structural dynamics of photochemical reactions.

Link to original paper
 One sentence summary:
A detailed theoretical analysis of femtosecond transient infrared spectra to determine excited-state structures involved in photoinduced intramolecular charge transfer (ICT) in 4-(dimethylamino)benzonitrile rules out the rehybridized ICT (RICT) model, favors the twisted ICT (TICT) model over the the pseudo Jahn-Teller ICT( (PICT) model, and predicts that observation of the phenyl-amino stretching vibration allows to discriminate clearly between the TICT and PICT models.

Contact: Jens Dreyer
 
Jens Dreyer working on ab initio calculations.
 
  
29 October 1999 Headline news:
Scientists at the Max Born Institute report for the first time the direct observation of vibrational population dynamics following an elementary photoinduced reaction in Betaine-30.


Link to original paper
 One sentence summary:
Picosecond anti-Stokes resonance Raman spectroscopy shows selective excitation of vibrations immediately after back electron transfer resulting in pronounced excess populations of the few strongest high-frequency Raman-active modes, whereas thermalization of the vibrations occurs on a rather slow 10 picosecond time scale.
 
 
Wolfgang Werncke and Sebastian Wachsmann-Hogiu with the resonance Raman laser set-up.
 
 External funding by:


German Science Foundation: DFG WE 1489/5

Contact: Wolfgang Werncke
Contact: Thomas Elsaesser
  
22 July 1999 Headline news:
Scientists at the Max Born Institut for Nonlinear Optics and Short Pulse Spectroscopy show in an infrared solvation dynamics study of hydrogen-bonded coumarin 102-phenol complexes, that hydrogen-bond rearrangements are important in liquid phase molecular dynamics.

Link to original paper
 One sentence summary:
The ultrafast structural response of hydrogen bonds in complexes between coumarin 102 and phenol to a change in electronic charge distribution in the dye is studied with ultrafast infrared spectroscopy, revealing prompt hydrogen-bond breaking between the coumarin dye and phenol, and subsequent geometric rearrangement of phenol-complexes.
 
 
Christian Chudoba and Erik T. J. Nibbering with the femtosecond infrared laser set-up.
 
 

External funding by:


German Science Foundation: DFG NI 492/2-2 (Schwerpunktprogram "Femtosekunden-Spektroskopie elementarer Anregungen in Atomen, Molekülen und Clustern")


Contact: Erik T. J. Nibbering
Contact: Thomas Elsaesser
  
5 October 1998 Headline news:
Scientists at the Max Born Institut for Nonlinear Optics and Short Pulse Spectroscopy report for the first time an infrared solvation dynamics study of a coumarin dye, giving site-specific insight into hydrogen bond dynamics in liquid solution.

Link to original paper
 One sentence summary:
Site-specific femtosecond infrared spectroscopy of the hydrogen bond between a coumarin dye and chloroform shows that this local hydrogen bond is broken when the electronic charge distribution in the coumarin dye is changed by optical excitation.
 
 
MBI-team members in the mountains near Garmisch-Partenkirchen, after the Ultrafast Phenomena XI conference (July 1998) at which the work was first presented to an international audience. Left to right: Erik T. J. Nibbering, Christoph Lienau, Christian Chudoba and Mike P. Hasselbeck.
 
 

External funding by:


German Science Foundation: DFG NI 492/2-2 (Schwerpunktprogram "Femtosekunden-Spektroskopie elementarer Anregungen in Atomen, Molekülen und Clustern")


Contact: Erik T. J. Nibbering
Contact: Thomas Elsaesser
  
20 December 1996 Headline news:
The Elsaesser team (Max Born Institut for Nonlinear Optics and Short Pulse Spectroscopy) shows that in excited state intramolecular hydrogen transfer (ESIHT) Raman-active low-frequency modes, that modulate the hydrogen bond distance, are coherently excited.


Link to original paper

 One sentence summary:
Ultrafast excited state hydrogen transfer in 2-(2'-hydroxy-5'-methylphenyl)-benzotriazole show coherent vibrational motions during and after hydrogen transfer.

Contact: Thomas Elsaesser
 
Link to Perspective by A. Douhal