/en/research/projects/2-04/highlights/MolStructDynamics.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: the full listing 1996-2011

Date Highlight  Links to more Information
   
3 November 2011

Headline news:
In a collaboration between the Elsaesser/Nibbering (MBI) and Levinger (Colorado State University, USA) teams the vibrational energy migration pathways in phospholipid reverse micelles are investigated with ultrafast mid-IR pump-probe spectroscopy.


Link to original paper

 

One sentence summary:
The key role of hydration for mediating ultrafast energy migration and dissipation in phospholipids self-assembled into reverse micelles is exemplified by determination of the rate of resonant excitation transfer between phosphate groups and by introducing a water pool as a confined heat sink for excess energy.

More details on page of subproject 1

 



Contact: Thomas Elsaesser
Contact: Erik T. J. Nibbering
Contact: Nancy E. Levinger

 


Nancy and René discussing the results on the phospholipid reverse micelles

 

 

External funding by:

National Science Foundation (Grant CHE 0628260)


European Research Council Advanced Grant under the European Union´s Seventh Framework Programme (FP7/2007-2013)/ERC grant agreement no. 247051

Link to ERC
   
29 September 2011

Headline news:
In a collaboration between the Nibbering (MBI) and Batista (Yale University, USA) teams the solvent-induced OH stretching frequency shifts of a prototypical photoacid dissolved in nonpolar/weakly polar solvents are explained in a combined transient IR spectroscopic and quantum chemical calculational study.


Link to original paper

 

One sentence summary:
The vibrational frequency shifts of the OH-stretching mode of uncomplexed 2-naphthol observed with femtosecond IR spectrosocpy in the electronic ground and excited states are explained using a perturbative solute-solvent interaction model and parametrized by (TD-)DFT quantum chemcial calculations.

More details on page of subproject 2

 



Contact: Erik T. J. Nibbering
Contact: Victor S. Batista

 


Skype conference with the Yale group.

 

 

External funding by:

National Science Foundation (Grant CHE 0911520)


Fonds Québecois de la Recherche sur la Nature et les Technologies

 
   
12 May 2011

Headline news:
In a joint collaboration between the Elsaesser/Nibbering (MBI) and Temps (Christian Albrechts Universität zu Kiel) teams the N-H stretching spectroscopy of Guanosine-Cytidine base pairs is unraveled.


Link to original paper (Published in the Shaul Mukamel Festschrift)

 

One sentence summary:
Linear FT-IR and 2D-IR photon echo spectroscopy provide insight into the dynamics and couplings of the N-H stretching manifold of GC base pairs in solution.

More details on page of subproject 1

 



Contact: Erik T. J. Nibbering
Contact: Thomas Elsaesser
Contact: Friedrich Temps

 

 

External funding by:


European Research Council Advanced Grant


Link to ERC
   
5 May 2011

Headline news:
In a joint collaboration between the MBI and the Freie Universität Berlin the complexation chemistry of 2-chloro-4-nitrophenol with acetate in dichloromethane has been surveyed in a combined UV/NMR heterospectral correlation approach with unsurpassed detail.


Link to original paper

 

One sentence summary:
Two-dimensional heterospectral UV/NMR correlation spectroscopy provides insight into the composition of hydrogen-bonded complexes in dichloromethane solution.

More details on page of subproject 1

 



Contact: Peter M. Tolstoy
Contact: Erik T. J. Nibbering
Contact: Thomas Elsaesser

 

 

External funding by:


European Research Council Advanced Grant


Link to ERC
   
10 February 2011

Headline news:
2D-IR photon echo spectroscopy on DNA oligomers monitor individual line broadening and vibrational energy transfer of the NH-stretching modes of the DNA bases.


Link to original paper

 

One sentence summary:
Ultrafast 2D-IR spectroscopy of the NH-stretching bands of adenine–thymine base pairs in DNA oligomers enable to distinguish different line broadening as well as energy transfer..

More details on page of subproject 1

 



Contact: Thomas Elsaesser

 

 

External funding by:


European Research Council Advanced Grant


Link to ERC
   
1 July 2010

Headline news:
In a collaboration between the MBI, the Free University Berlin and the University of Wroclaw, different spectroscopic techniques are used to determine hydrogen bond complexation and tautomerization of 2-pyridone, a classic spectroscopic problem, in dichloromethane solution.


Link to original paper I
and Link to original paper II

 

One sentence summary:
Hydrogen bond complex formation of 2-pyridone in dichloromethane solution is unraveled in a combined approach exploiting NMR, steady-state FT-IR (including 2D correlation spectroscopy), femtosecond IR pump-probe wavepacket spectroscopy, and quantum chemical calculations.

More details on page of subproject 1

 




 


Contact: Erik T. J. Nibbering
Contact: Thomas Elsaesser

 

External funding by:


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


Link to SFB450 web-page
   
5 May 2010

Headline news:
Recent studies provide a detailed understanding of DNA vibrations and their dynamics, and give insight into nonequilibrium properties and structures of hydrated DNA.


Link to original paper in english


Link to original paper in german

 

One sentence summary:
Ultrafast IR spectroscopy of the NH and PO stretching bands of adenine–thymine base pairs in DNA oligomers enable to separate and assign DNA and water vibrations, to determine their couplings, and to unravel microscopic processes governing the dynamics of hydration shells.

More details on page of subproject 1

 



Contact: Erik T. J. Nibbering
Contact: Thomas Elsaesser

 

 

External funding by:


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


Link to SFB450 web-page
   
12 November 2009

Headline news:
Carbonic acid, the hydrated form of carbon dioxide, so ubiquitous on Earth but yet to be observed in aqueous solution, can be accessed with transient infrared spectroscopy.



Link to original paper

 

One sentence summary:
The intrinsic formation dynamics of carbonic acid from ultrafast protonation of bicarbonate in aqueous solution is measured with femtosecond infrared spectroscopy, resulting in the determination of the real acidity constant, that will be of much use in research areas ranging from biophysiology, biogeochemistry, ocean ecology and carbon dioxide sequestration.

Pressemitteilung
Bildung von Kohlensäure in Echtzeit verfolgt

Press Release
Real time generation and observation of carbonic acid

 


Ultrafast protonation of bicarbonate using UV-photoexcited naphthol photoacid generates carbonic acid, H2CO3, in aqueous solution as followed by infrared-active marker modes


Communiqué de Presse
Formation et observation de l’acide carbonique en temps réel

Persbericht
Koolzuur molecule in water gedetecteerd

 

 

 

Photos


Ehud Pines, Dina Pines, Mirabelle Prémont-Schwarz, Katrin Admaczyk and Erik T. J. Nibbering having a break after discussing the carbonic acid results in march 2009.

More details on page of subproject 2

 


Carbonic acid captured

Article by Simon Hadlington



Fünf Minuten Chemie
Kohlensäure gibt es praktisch nicht

Article by Wolfgang W. Merkel

 

External funding by:


German-Israeli Foundation for Scientific Research and Development: GIF I-876-107.5.


Contact: Erik T. J. Nibbering
Contact: Ehud Pines
   
29 April 2009

Headline news:
Subpicosecond infrared-pump/anti-Stokes Raman-probe spectroscopy provides key insight into the question how vibrational energy flows in DNA.


Link to original paper

 

One sentence summary:
Spectrally selective excitation within the NH stretching band of adenine–thymine base pairs in DNA oligomers is observed to lead to distinct vibrational energy flow pathways in the NH bending fingerprint modes.

More details on page of subproject 3

 



Contact: Wolfgang Werncke
Contact: Erik T. J. Nibbering
Contact: Thomas Elsaesser

 

 

External funding by:


German Science Foundation: DFG WE 1489/6


   
11 November 2008

Headline news:
Polarization-sensitive ultrafast infrared measurements on photoinduced electron transfer in donor-acceptor pairs provide direct access to structure and dynamics of distinctly different tight and loose ion pairs.


Link to original paper

 

One sentence summary:
Highly anisotropic signals from tight donor-acceptor ion pairs generated by photoinduced bimolecular electron transfer reveal the importance of mutual orientation of the reactants and thus the need to refine theoretical models based on spherical species that solely involve reaction distances.

More details on page of subproject 2

 


Dr. Omar F. Mohammed, Dr. Erik T. J. Nibbering, Prof. Dr. E. Vauthey and Katrin Adamczyk having a break between measurements (February 2007).


Natalie Banerji, Dr. Omar F. Mohammed and Dr. Bernhard Lang discussing sample preparations (November 2006).


Contact: Erik T. J. Nibbering
Contact: Eric Vauthey

 

 

External funding by:


Fonds National Suisse: Project 200020-115942 (Eric Vauthey)


LIMANS Cluster of Large Scale Facilities: MBI001176.


European Science Foundation: DYNA travel grant 1267 (O.F. Mohammed)


   
15 August 2008

Headline news:
N-H and O-H stretching vibrations of adenine-thymine double helix oligomers resolved with ultrafast infrared spectroscopy.


Link to original paper

 

One sentence summary:
Polarization-sensitive ultrafast infrared pump-probe spectroscopy of DNA oligomer films at well-defined relative humidity provides insight into the vibrational couplings of N-H and O-H stretching excitations of adenine-thymine base pairs and water, respectively.

More details on page of subproject 1

 


Jason filling the IR-detector with liquid nitrogen (May 2006).


Lukasz aligning the parametric set-up (September 2007).


Contact: Erik T. J. Nibbering
Contact: Thomas Elsaesser

 

 

External funding by:


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


Natural Sciences and Engineering Research Council of Canada


Link to SFB450 web-page
   
30 July 2008

Headline news:
In a joint collaboration between the research teams of Hunt at University of Strathclyde, Pickett at University of East Anglia and of Nibbering at the MBI investigate with ultrafast infrared spectroscopy a model system for active site of [Fe-Fe]-hydrogenase.


Link to original paper

 

One sentence summary:
Structural changes upon UV irradiation of (µ-S(CH2)3S)Fe2(CO)6 in an alkane solution leads to the formation of two isomers of the 16-electron complex (µ-S(CH2)3S)Fe2(CO)5 within 50 ps with evidence of a weakly associated solvent adduct complex.

More details on page of subproject 4

 


Neil T. Hunt, A. Ian Stewart, Katrin Adamczyk and Hirendra N. Ghosh have a closer look at the experimental data (October 2007).


Katrin Adamczyk, Erik T. J. Nibbering, Neil T. Hunt, Hirendra N. Ghosh, Anna R. Ridley and A. Ian Stewart after in-depth discussions (October 2007).


Contact: Erik T. J. Nibbering
Contact: Neil Hunt
Contact: Christopher J. Pickett


Link to the Neil Hunt group home page at University of Strathclyde


Link to Christopher J. Pickett group home page at University of East Anglia

 

External funding by:


Engineering and Physical Sciences Research Council.


LIMANS Cluster of Large Scale Facilities: MBI001346.

 

 

   
5 June 2008

Headline news:
In a joint collaboration between the research teams of Wernet/Eberhardt at Bessy and of Nibbering/Elsaesser at the MBI the first time-resolved x-ray absorption study of liquid water is reported.


Link to original paper

 

One sentence summary:
Structural changes in the hydrogen-bond network as induced by resonant femtosecond-infrared excitation are monitored via transient x-ray absorption at the oxygen K-edge.

More details on page of subproject 1

 

 


Contact: Erik T. J. Nibbering
Contact: Thomas Elsaesser
Contact: Philippe Wernet


Link to the Philippe Wernet group home page at Bessy

 

   
23 March 2008

Headline news:
Erik T. J. Nibbering gives his opinion on the structure of water in an interview in a feature in Faszination Wissen broadcasted by Bayerischer Rundfunk.

Bayerischer Rundfunk - Faszination Wissen

 

Faszination Wissen • Bayerisches Fernsehen
Donnerstags um 21.15 Uhr • 23.3.2008

Faszination Wissen
Unser Wasser - tot oder lebendig?


Contact: Erik T. J. Nibbering

 

   
15 January 2008

Headline news:
Temperature dependence of OH stretching spectral diffusion in neat liquid water indicate delocalised vibrational excitations subject to local hydrogen bond network dependent memory loss of structure.


Link to original paper

 

One sentence summary:
Structural memory loss of water, as evidenced in temperature-dependent two-dimensional infrared spectra, slows down with decreasing temperature, beyond vibrational energy transfer times suggesting delocalization of OH stretching excitations over several water molecules.

More details on page of subproject 1

 


Alexander Paarmann with new sample design.


Nils Huse, Erik T. J. Nibbering, Michael L. Cowan, Alexander Paarmann, Darren Kraemer and Thomas Elsaesser during discussions (May 2006).


The Toronto team videoconferencing with the MBI team (spring 2007).


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
   
12 February 2007

Headline news:
A general framework based on Eigen and Weller's classic diffusion reaction model for aqueous acid-base neutralization reactions explains that base-induced solvent switches mediate the proton-transfer dynamics between pyranine and trichloroacetate.


Link to original paper

 

One sentence summary:
Upon mutual diffusion of an acid and a base to form an encounter reaction complex in aqueous solution, ultrafast solvent switches mediate the proton transfer between acid and base.

More details on page of subproject 2

 


 

 



Link to News & Views commentary by James T. Hynes

 

 


Contact: Erik T. J. Nibbering
Contact: Ehud Pines
 

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).

 
   
8 February 2007

Headline news:
Inter- and intramolecular vibrations of water are used as structural probes to show that vibrational energy transfer from individually excited water molecules to intermolecular modes follows a two-stage scenario of ultrafast weakening and slower breaking of hydrogen bonds.


Link to original paper

 

One sentence summary:
A two-stage structural response to vibrational energy disposal in the hydrogen bond network of water is revealed to consist of initial rearrangement into local intermolecular modes with hydrogen bond weakening, followed by delocalization over extended water networks accompanied by hydrogen bond breaking and macroscopic heating.

More details on page of subproject 1

 


 

 

External funding by:


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

Mizuho Foundation for the Promotion of Sciences (S. Ashihara)


Alexander von Humboldt Foundation (A. Espagne)


Contact: Erik T. J. Nibbering
Contact: Thomas Elsaesser
   
28 December 2006

Headline news:
In a collaboration of the Vauthey (Université de Génève, Switzerland) and Nibbering (MBI) groups strongly and weakly coupled ion pairs have been observed in photoinduced bimolecular electron transfer reactions in solution.


Link to original paper

 

One sentence summary:
The asymmetric CN-stretching mode of 1,4-dicyanobenzene radical anion provides insight into the ultrafast formation and decay times of strongly and weakly coupled ion pairs as well as the dissociation of geminate ion pairs on picosecond time scales.

More details on page of subproject 2

 

The broader peak at early pulse delays is attributed to the radical anion CN-stretching vibration within a strongly coupled ion pair, formed by ultrafast "static" quenching of the photoexcited perylene chromophore. A band narrowing on a time scale of a few tens of picoseconds observed on the antisymmetric CN stretching vibration of the dicyanobenzene radical anion indicates that a substantial part of the excess energy is channeled into vibrational modes of the product, despite the fact that the reaction is weakly exergonic. An additional narrowing of the same band on a time scale of several hundreds of picoseconds observed in acetonitrile only is interpreted as a signature of the dissociation of the geminate ion pairs into free ions.


The research team at the MBI in summer 2005 during the first measurment period: Dr. Bernhard Lang, Omar F. Mohammed, Nathalie Banerji and Dr. Erik T. J. Nibbering.

 

 

External funding by:


Fonds National Suisse: Project 200020-107466.


LIMANS Cluster of Large Scale Facilities: MBI001176.


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: Eric Vauthey
   
4 December 2006

Headline news:
Observation of coherent wavepacket modulations of the amino hydrogen bond of the 7-azaindole dimer.


Link to original paper

 

One sentence summary:
Femtosecond N–H stretching excitation induces coherent underdamped motions of the 7-azaindole dimer, dominated by the anharmonically coupled 110 cm-1 stretching mode of the hydrogen bonds.

More details on page of subproject 1

 


The low-frequency dimer stretching mode of 7-azaindole dimer anharmonically coupled to the N-H stretching mode.


Dr. Jason R. Dwyer prepares for the two colour pump-probe experiments.


Contact: Erik T. J. Nibbering
Contact: Thomas Elsaesser

 

External funding by:


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


Natural Sciences and Engineering Research Council of Canada.


Link to SFB450 web-page
   
12 October 2006

Headline news:
Klaus Tschira Preis für verständliche Wissenschaft 2006 für Dr. Nils Huse.


Pressemitteilung

 

One sentence summary:
Physiker des Max Born Instituts erhält den Klaus Tschira Preis für verständliche Wissenschaft 2006 für seine klare Darstellung von Forschungsergebnissen: Das kurze Gedächtnis des Wassers, wo er schildert, wie die moderne Experimentalphysik die Anomalien von Wasser erforscht.


Klaus Tschira Stiftung


Studienstiftung des deutschen Volkes

 


Die Preisverleihung fand am 12. Oktober 2006 in der Alten Aula der Universität Heidelberg statt.


Bild der Wissenschaft Plus: Sonderveröffentlichung enthält die Originalbeiträge der Preisträger, sowie Informationen über die Studienstiftung des deutschen Volkes und die Klaus Tschira Stiftung


Preisträger: Informationen über den beruflichen Werdegang der Preisträger

   
21 August 2006

Headline news:
Mode-selective O–H stretching relaxation in a hydrogen bond observed to occur via overtone and combination bands in which the O-H bending mode plays a dominant role.


Link to original paper

 

One sentence summary:
Transient IR-pump/IR-probe and IR-pump/resonance Raman probe measurements grasp the vibrational energy flow pathway in TINUVIN.

More details on page of subproject 3

 


Energy level scheme (harmonic scaling) for selective relaxation of the O-H stretching band excitation into fingerprint mode over- and combination tones.


 

 

External funding by:


German Science Foundation: DFG-WE 1489/6 .


Contact: Wolfgang Werncke
Contact: Thomas Elsaesser
   
20 July 2006

Headline news:
Lise-Meitner Preis für Dr. Nils Huse.


Pressemitteilung

 

One sentence summary:
Physiker des Max Born Instituts erhält Preis für seine herrausragende Doktorarbeit auf der Festveranstaltung des Instituts für Physik und der Vereinigung der Freunde und Förderer des Instituts für Physik e.V. der Humboldt Universität zu Berlin.


Freunde und Förderer der Physik der HU Berlin


Institut für Physik

Humboldt-Universität zu Berlin

 


Übergabe des Lise-Meitner-Preises durch den Vorsitzenden des Vorstandes der Freunde der Physik, Prof. M. Müller-Preußker an Dr. Nils Huse (MBI) für seine herausragende Dissertation (Fotogalerie)



Scienzz

   
12 June 2006

Headline news:
The Elsaesser/Nibbering team report on the femtosecond dynamics of coupled O–H stretching and bending excitations in neat water (H2O), revealing a Fermi resonance between the O–H stretching and bending vibrations.


Link to original paper

 

One sentence summary:
Transient vibrational spectra and their kinetics reveal a Fermi resonance between the O–H stretching and bending vibrations and femtosecond lifetimes of the intramolecular vibrational excitations of liquid water.

More details on page of subproject 1

 

Satoshi and Nils confident with water vibrations
The Berlin team members Satoshi Ashihara (guest scientist from the Institute of Industrial Science, University of Tokyo, Tokyo, Japan) and Nils Huse discussing vibrations in water..

 

 

What are O-H stretching and bending 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)


Bending motion of water. A period of the bending mode shown lasts approximately twice as much as that of the O-H stretching mode, i.e. 20 fs. The first overtone (v=2) level can thus be found at a frequency close to that of the fundamental of the O-H stretching vibration, facilitating an efficient Fermi resonance coupling mechanism. (Animation by Jens Dreyer, MBI)

 

 

External funding by:


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


Mizuho Foundation for the Promotion of Sciences (S. Ashihara)


Alexander von Humboldt Foundation (A. Espagne).


Contact: Erik T. J. Nibbering
Contact: Thomas Elsaesser
   
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
   
22 July 2004

Headline news:
In a joint collaboration between the SFB450-B2 and SFB450-C1 projects run by the Elsaesser/Nibbering (Max Born Institut for Nonlinear Optics and Short Pulse Spectroscopy) and Manz/Kühn (Freie Universität Berlin) teams a combined experimental and theoretical study reveals how O-H stretching excitation in hydrogen bonds is redistributed .


Link to original paper

 

One sentence summary:
Two colour infrared pump-probe measurements and quantum chemical calculations on phthalic acid monomethylester demonstrate that the O-H stretching excitation follows a cascaded energy redistribution pathway along O-H bending and O-H out-of-plane deformation modes.

More details on page of subproject 1

 


Karsten Heyne analysing the two colour pump-probe data on phthalic acid monomethylester.


Contact: Erik T. J. Nibbering
Contact: Thomas Elsaesser
Contact: Oliver Kühn

  External funding by:


German Science Foundation: SFB450-B2 and C1 (Sonderforschungsbereich 450 "Analyse und Steuerung ultraschneller photoinduzierter Reaktionen")

Link to SFB450 web-page
     
2 June 2004

Headline news:
Erik T. J. Nibbering gives his opinion on the structure of water in an interview with Michael Fuhs for Deutschlandfunk


Link to transcribed interview
 

Forschung aktuell • Aus Naturwissenschaft und Technik
Montag bis Freitag • 16:35
2.6.2004

Ketten und Ringe

Neue Erkenntnisse über die Struktur von flüssigem Wasser
Von Michael Fuhs


Link to sound file of interview
     
31 March 2004 Headline news:
In a joint project between the Nibbering team (Max Born Institut for Nonlinear Optics and Short Pulse Spectroscopy) and the Fidder team (Uppsala Universitet) results on the ultrafast internal conversion (IC) dynamics of a photochromic switch have lead to a refinement of the well-established "energy gap law" for IC, to a connection of two theoretical explanations for IC, currently believed to be unrelated and to a prediction that regulation of (photo-)chemical yields at the expense of photophysical decay can be accomplished by active control of molecular conformations.

Link to original paper
  One sentence summary:
Large conformational changes upon electronic excitation explain recent observations of ultrafast internal conversion while showing behaviour different to that predicted by the well-established "energy gap law".
More details on page of subproject 4
 
Contact: Erik T. J. Nibbering
 


Matteo Rini, Henk Fidder together with Omar F. Mohammed in the femtosecond application laboratory.

 
  External funding by:


LIMANS Cluster of Large Scale Facilities: MBI000237


German Science Foundation: DFG NI 492/2-2 (Schwerpunktprogram "Femtosekunden-Spektroskopie elementarer Anregungen in Atomen, Molekülen und Clustern")
 
     
25 February 2004 Headline news:
In a joint project between researchers from the Max Born Institut for Nonlinear Optics and Short Pulse Spectroscopy, the University of Würzburg, and the University of Louisville the structure and dynamics of NO bound to myoglobin has been investigated with ultrafast infrared polarisation spectroscopy and density functional theory.

Link to original paper
  One sentence summary:
In a combined experimental and theoretical study of NO bound to the heme iron in myoglobin it is found that the diatomic ligand is severely tilted in the protein and that the Fe-NO moiety can sample a wide range of off-axis tilting and bending conformations.
More details on page of subproject 4
 
Contact: Erik T. J. Nibbering
 


Matteo Rini and Tomasz Zemojtel in the femtosecond application laboratory.

 
  External funding by:


LIMANS Cluster of Large Scale Facilities: MBI000232
 
   
28 November 2003

Headline news:
In the SFB450-B2 project run by the Elsaesser/Nibbering team (Max Born Institut for Nonlinear Optics and Short Pulse Spectroscopy) first two colour infrared pump-probe measurements reveal how vibrational modes mutually interact in hydrogen bonds.


Link to original paper

 

One sentence summary:
Two colour infrared pump-probe measurements on acetic acid dimer show the importance of anharmonic coupling between and the involvement of different vibrational modes in this important model system for hydrogen bonding.

More details on page of subproject 1

 


Karsten Heyne analysing the two colour pump-probe data on acetic acid dimer.


Contact: Erik T. J. Nibbering
Contact: Thomas Elsaesser

  External funding by:


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

Link to SFB450 web-page
     
7 November 2003

Headline news:
In the SFB450-B2 project run by the Elsaesser/Nibbering team (Max Born Institut for Nonlinear Optics and Short Pulse Spectroscopy) photon echo results have been reported on hydrogen bond dynamics in acetic acid dimer, an important model system for coupled hydrogen bonds in biomolecular structures.


Link to original paper

 

One sentence summary:
An infrared photon-echo study of the O-H stretching band of acetic acid dimer reveals the dominant role of multi-level coherence interferences in the macroscopic polarization decay.

More details on page of subproject 1

 


Nils Huse measuring the photon echo data on acetic acid dimer.


Contact: Erik T. J. Nibbering
Contact: Thomas Elsaesser

  External funding by:


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

Link to SFB450 web-page
     
18 July 2003

Headline news:
Members of the Nibbering team (Max Born Institut for Nonlinear Optics and Short Pulse Spectroscopy) in collaboration with the Pines team (Ben-Gurion University of the Negev) observe bimodal proton transfer dynamics in acid-base neutralization reactions in water.

Pressemitteilung
"Ab jetzt bist du sauer!"
Säuren beim Reagieren zusehen

 

One sentence summary:
Bimodal reaction dynamics, as observed in femtosecond infrared measurements on proton transfer reactions in acid-base pairs in water, demand refinement of the established Eigen-Weller mechanism.

Press Release
"From now on you are sour"
Looking at reacting acids

 

Summary showing the essence of the work

Persbericht
"Vanaf nu reageer je zuur!"
Kijken naar reagerende zuren

 

Link to original paper

Comunicato stampa
"Da questo momento siate acidi!"
Osservare il movimento dei protoni durante reazioni chimiche

 


Link to Perspective by Mark A. Johnson


Two fast studies of liquid water

 


The team members (left to right): Ben-Zion (Oleg) Magnes, Ehud Pines, Erik T. J. Nibbering and Matteo Rini

Pressemitteilung

 

 

More details on page of subproject 2

 

External funding by:


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


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


LIMANS Cluster of Large Scale Facilities: MBI000228


Contact: Erik T. J. Nibbering

     
10 July 2003

Headline news:
"Carl-Ramsauer Preis" für Dr. Jens Stenger

Physiker des Max-Born-Instituts erhält Preis für die Untersuchung von Wasserstoffbrücken.

Pressemitteilung
Was die lebendige Welt im Innersten zusammenhält
  Dr. Jens Stenger in full action at the Carl Ramsauer Preisverleihung.
The Carl Ramsauer prizewinners in one row.
Official flyer announcing 2003 Carl Ramsauer prize winners

Carl Ramsauer prize winners on the official site of the Physikalische Gesellschaft zu Berlin
     
12 March 2003 Headline news:
In a joint project between the Nibbering team (Max Born Institut for Nonlinear Optics and Short Pulse Spectroscopy) and the Fidder team (Uppsala Universitet) competing ultrafast relaxation channels are observed in optically induced chemical reaction dynamics of the photochromic switch spiropyran.

Link to original paper
  One sentence summary:
Ultrafast internal conversion to the spiropyran ground state is found to be an efficient relaxation channel competing with the photochemically induced ring-opening reaction to merocyanine.
More details on page of subproject 4
 
Contact: Erik T. J. Nibbering
 


Matteo Rini, Henk Fidder together with Omar F. Mohammed in the femtosecond application laboratory.

 
  External funding by:


LIMANS Cluster of Large Scale Facilities: MBI000237


German Science Foundation: DFG NI 492/2-2 (Schwerpunktprogram "Femtosekunden-Spektroskopie elementarer Anregungen in Atomen, Molekülen und Clustern")
 
     
28 February 2003 Headline news:
In the SFB450-B2 project run by the Elsaesser/Nibbering team (Max Born Institut for Nonlinear Optics and Short Pulse Spectroscopy) new results have been reported on hydrogen bond dynamics in acetic acid dimer, an important model system for coupled hydrogen bonds in biomolecular structures.

Link to original paper
  One sentence summary:
The cyclic dimer of deuterated acetic acid, an important model system for hydrogen-bonded units of biomolecules, shows, upon excitation of the O–D stretching mode, coherent nuclear motions along several anharmonically coupled intermolecular low-frequency modes of the dimer.
More details on page of subproject 1
 
Karsten Heyne fitting the acetic acid dimer pump-probe data.

Contact: Erik T. J. Nibbering
Contact: Thomas Elsaesser
  External funding by:


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

Link to SFB450 web-page
     
15 January 2003 Headline news:
A new procedure to simulate multidimensional nonlinear vibrational spectra based on electronic structure ab initio calculations has been developed by Jens Dreyer in collaboration with the group of Shaul Mukamel (University of Rochester / UC Irvine).

Link to original paper
  One sentence summary:
Analysis of a complete set of simulated one- and two-color multidimensional infrared spectra, which provide new insight into structural and dynamical properties of molecules and chemical reactions with ultrafast time resolution, shows distinct and direct signatures of anharmonicities, mode couplings, Fermi resonances, and relative transition dipole moments.
More details on page of subproject 5
   
Contact: Jens Dreyer
   
8 July 2002 Headline news:
Scientists at the Max Born Institute demonstrate the importance of non-totally symmetric vibrational modes for intramolecular vibrational energy redistribution (IVR) processes that take place after relaxation from photochemically excited state to the ground state (internal conversion, IC) through conical intersections.

Link to original paper
  One sentence summary:
Picosecond anti-Stokes resonance Raman spectroscopy of para-nitroaniline reveals initial excitation of out-of-plane vibrations, which thus represent the main accepting modes, whereas excitation of totally-symmetric vibrations by IVR occurs only in subsequent step - a new model, which contrasts earlier treatments of internal conversion.
More details on page of subproject 3
 
Wolfgang Werncke and Valeri Kozich contemplating the picosecond Raman set-up.

Contact: Wolfgang Werncke
Contact: Thomas Elsaesser
  External funding by:


German Science Foundation: DFG DFG WE 1489/5
 
     
24 June 2002 Headline news:
Erik T. J. Nibbering reported the first femtosecond infrared experiment on excited state intramolecular hydrogen transfer (ESIHT) at the Faraday Discussion meeting 122: Time-Resolved Chemistry: From Structure to Function.

Link to original paper
  One sentence summary:
Femtosecond infrared experiments on infrared-active fingerprint vibrations of 2-(2'-hydroxyphenyl)benzothiazole (HBT)excited state reveal an intramolecular hydrogen transfer (ESIHT) time scale of 30-50 fs, followed by intramolecular vibrational redistribution and cooling on picosecond times, without being the direct energy accepting modes during the reaction.
More details on page of subproject 2
  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
     
14 March 2002 Headline news:
Scientists at the Max Born Institut for Nonlinear Optics and Short Pulse Spectroscopy report for the first time an infrared photon echo peak shift study of liquid water, giving insight into the time scales of fluctuations of the hydrogen bond network in water.

Link to original paper
  One sentence summary:
A photon echo peak shift study of the O-H stretching band of HOD in deuterated water shows that spectral diffusion occurs on many time scales, indicating that the memory of local structure of the hydrogen bond network in liquid water remains (partially) conserved well up to several picoseconds.
More details on page of subproject 1
 
Uni Zuerich and MBI-team members Peter Hamm, Erik T. J. Nibbering, Julian Edler and Jens Stenger in Vancouver, just before the Ultrafast Phenomena XIII conference (May 2002), at which the work was presented to an international audience.

Contact: Erik T. J. Nibbering
Contact: Thomas Elsaesser
  External funding by:


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

Link to SFB450 web-page
   
9 July 2001 Headline news:
Scientists at the Max Born Institut for Nonlinear Optics and Short Pulse Spectroscopy report for the first time an infrared photon echo study of liquid water.

Link to original paper
  One sentence summary:
The ultrafast dephasing time of the O-H stretching mode of HOD in deuterated water is rationalized by taking into account the large anharmonicity of hydrogen-bonded O-H stretching modes.
More details on page of subproject 1
 
Jens Stenger in full action measuring IR photon echoes

Contact: Erik T. J. Nibbering
Contact: Thomas Elsaesser
 

External funding by:


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


Link to SFB450 web-page
     
5 April 2001 Headline news:
Scientists at the Max Born Institut for Nonlinear Optics and Short Pulse Spectroscopy show for the first time that coherent motions in hydrogen bonds can be driven with ultrahsort infrared laser pulses.

Link to original paper
  One sentence summary:
Femtosecond infrared spectroscopy on a medium-strong intramolecular hydrogen bond shows that ultrafast excitation of a O-D stretching mode facilitates coherent underdamped motions of an anharmonically coupled low-frequency mode.
More details on page of subproject 1
 
Dorte Madsen in full action measuring wavepackets on hydrogen bonds.

Contact: Erik T. J. Nibbering
Contact: Thomas Elsaesser
  External funding by:


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

Link to SFB450 web-page
   
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