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3.1 Dynamics of Condensed Phase Molecular Systems
Project coordinator(s): E. Nibbering, O. Kornilov
Topic 1: Hydrogen bond dynamics in hydrated biomimetic and biomolecular systems

 

The people involved:
Yingliang Liu, Fabian Dahms, Torsten Siebert, Benjamin Fingerhut, Erik T. J. Nibbering, Thomas Elsaesser

Former team members:
Lukasz Szyc, Ming Yang, Christian Greve, Rene Costard, Tobias Tyborgski, Henk Fidder, Benjamin Koeppe, Ismael A. Heisler, Biswajit Guchait,


Hydrogen bonding of hydrated biomolecular and biomimetic systems is investigated with ultrafast vibrational spectroscopy. Hydration of biomolecules is addressed on the femto- to picosecond time scale by probing vibrational marker modes sensitive to molecular motions, energy exchange, and structural fluctuations of the hydration shell. Using artificial DNA oligomers as a model system and implementing a technique which allows for femtosecond measurements at a controlled variable hydration level, femtosecond 2D infrared and pump-probe spectroscopy is applied to provide new insight into hydration processes. Experiments on DNA oligomers and base pairs in solution addresses vibrational dynamics within the complementary hydrogen bonding structural motifs of base pairing, giving detailed information on the coupling and relaxation behaviour of the N-H stretching oscillators in these base pairs. The vibrational dynamics of phosphate groups in the DNA backbone and their energy exchange with the water shell have been determined for the first time, demonstrating that the surrounding water layers represent the preferential heat sink for excess energy released in DNA relaxation processes. These findings are complemented and confirmed by measurements on water pools nano-confined in reverse micelle structures with phosphate head groups.

Our research activities on the ultrafast hydrogen bond dynamics, initiated in 1998 within the collaborative research centre SFB 450 "Analysis and control of ultrafast photoinduced reactions" can be categorized into five time periods. The first three periods have been funded through the SFB450-B2 project (1998-2010). Since 2010 third party funding comes through an ERC Advanced Grant.

Phase 1 (1999-2002):

Our research initally focussed on the investigation of the structurally well-defined medium-strong intramolecular hydrogen bonds of phthalic acid monomethyl ester and 2-(2'-hydroxyphenyl)benzothiazole, where we investigated the anharmonic couplings with low-frequency hydrogen bond modes, as well as the rapidly fluctuating hydrogen bond networks of isotopically diluted water (HOD in D2O).

1-1 Coherent wavepacket motions in medium-strong intramolecular hydrogen bonds
1-2 Ultrafast dephasing and spectral diffusion of isotopically diluted water

Phase 2 (2002-2006):

In the following period we investigated the vibrational couplings of a prototype medium-strong intermolecular hydrogen bonded system, acetic acid dimer, a model system that frequently appears in protein structures. Here the couplings of the O-H stretching vibration with the fingerprint O-H bending, and the C-O and C=O stretching modes, as well as with the low-frequency hydrogen bond modes have been explored. In addition we have been able to measure the dephasing, spectral diffusion and vibrational relaxation of the O-H stretching band of neat liquid water, the hydrogen bonded system with the fastest vibrational dynamics observed until now.

2-1 Coherent wavepacket motions in medium-strong intermolecular hydrogen bonds
2-2 Ultrafast dephasing, spectral diffusion and vibrational relaxation of neat liquid water

Phase 3 (2006-2010):

In the third period we investigated the vibrational couplings of hydrogen bonds in DNA oligomers as well as intermolecular hydrogen bonded biomimetic systems, such as 7-azaindole dimer. Here the couplings of the N-H stretching vibrations with the fingerprint modes, as well as with the low-frequency hydrogen bond modes play a key role in the vibrational dynamics. In addition we explore the couplings of the DNA oligomers with O-H stretching vibrations of solvation shell water molecules. A novel line of research is the investigation of the structural dynamics upon vibrational energy redistribution and relaxation of neat liquid water through inspection of the oxygen K-edge using ultrafast X-ray spectroscopy with high temporal resolution.

3-1 Vibrational dynamics in hydrated adenine-thymine DNA oligomers, and biomimetic hydrogen-bonded base-pair systems
3-2 Ultrafast response of the oxygen K-edge of neat liquid water upon a temperature jump

Phase 4 (2010-2013):

In the fourth period we expand our investigation on the vibrational couplings of hydrogen bonds in DNA oligomer films as well as intermolecular hydrogen bonded biomimetic systems, such as guanosine-cytidine or adenosine-thymidine base pairs in weakly polar solution. Hydration phenomena in DNA oligomers as well as in phospholipid self-assemblies are subject of this research. Implementation of 2D-IR photon echo techniques operating at different frequencies enables, together with two-colour IR-pump-IR-probe measurements, the in-depth exploration of ultrafast dynamics of local hydration interactions.

4-1 Vibrational dynamics in hydrated DNA oligomers, and biomimetic hydrogen-bonded base-pair systems
4-2 Ultrafast dynamics in hydrated phospholipid self-assemblies

Phase 5 (2014-201?):

In the fifth period we expand our investigation on hydration phenomena of DNA oligomers as well as of phosphate ions. A close collaboration with the junior theory group of Dr. Benjamin Fingerhut has been established. A new research line involves the vibrational dynamics of hydrated proton species.

5-1 Vibrational dynamics in hydrated DNA
5-2 Ultrafast dynamics of hydrated phosphate ions
5-3 Ultrafast dynamics of hydrated excess proton

Here below we show the results of phase 5. For phases 1, 2, 3 and 4, please follow the links to the separate pages.

 

Vibrational dynamics in hydrated DNA


We continue our research on vibrational dynamics in hydrated DNA. Dynamics and couplings of phopshate and sugar backbone modes of Watson-Crick double helix DNA films (consisting of 23 oligomer adenine-thymine base pairs) have been explored with ultrafast IR pump-probe and 2D-IR spectroscopy.



3. FT-IR spectrum of the hydrated DNA films, showing the relevant modes the sugar and phosphate backbone.
 


2. 2D-IR photon echo spectra of sugar-phosphate backbone modes of hydrated DNA, measured for different waiting times T.
 


3. Derived frequency-fluctuation correlation function and transient IR pump-probe data obtained on the sugar-phosphate backbone modes.
 


4. 2D-IR photon echo spectra of sugar-phosphate backbone modes of DNA, at different degrees of hydration.
 


5. Cross-cuts of 2D-IR spectra, together with fits using stochastic modulation models, pointing at the important role of fluctuating local electric fields.
 

Ultrafast dynamics of hydrated phosphate ions


We investigate the vibrational dynamics of aqueous phosphate ions in a combined experimental and theoretical approach. The interaction of water molecules with ionic phosphate groups is of particular interest as phosphate groups are primary hydration sites in membranes and in biomolecules such as DNA and RNA.



6. Vibrational spectra and structure of H2PO4- in aqueous solution.
 

7. Pump-probe data of phosphate stretching modes of H2PO4- in aqueous solution showing vibrational lifetimes <500 fs.

 

8. 2D-IR photon echo spectra for H2PO4- in aqueous solution, with which vibrational couplings and spectral diffusion dynamics of the phosphate stretching modes can be grasped.

 

9. Frequency fluctuations of H2PO4- stretching modes due to librational motions of hydration-shell water derived from a Kubo analysis of 2D lineshapes and hybrid quantum-classical simulations.

 

10. (a and c) Electric field-frequency correlation of the asymmetric (PO2)- stretch vibration of dimethylphosphate (DMP)
calculated on the VCI2 level of theory; (b and d) Correlation of ab initio calculated electric field EQM and the Effective Fragment Potential model EEFP.

 

11. The time averaged electric field (middle) converges within the first 2-3 solvation shells with notable contributions from induction (cf. radial distribution function g(r), top).
.

 

12.(left) normalized field fluctuation correlation function C(t) characterized by sub-100 fs and 2-3 ps fluctuation timescales;
(right) power spectral density C(ω) of the normalized field fluctuation correlation function C(t).

 

13. Experimental and simulated absorption spectrum of DMP in aqueous solution, dotted and dashed dotted lines denote the contribution of conformers gt and gg, respectively.

 

Ultrafast dynamics of hydrated excess proton


We investigate the vibrational dynamics of aqueous phosphate ions in a combined experimental and theoretical approach. The interaction of water molecules with ionic phosphate groups is of particular interest as phosphate groups are primary hydration sites in membranes and in biomolecules such as DNA and RNA.

14. The Zundel cation H5O2+, prepared in acetonitrile solution, exhibits O-H stretching and O-H bending transitions, and the broadband Zundel continuum.

 

15. Two-colour IR pump-probe measurements on the O-H stretching and O-H bending transitions of the Zundel cation H5O2+, prepared in acetonitrile solution.

 

16. Ultrafast electric field fluctuations modulate the IR transition energies of the Zundel cation H5O2+: main mechanism behind the broadband Zundel continuum.

 
 

Publications on

Hydrogen bond dynamics in hydrated biomimetic and biomolecular systems

 
DCF16
C1-P-2016.xx
  F. Dahms, R. Costard, B. P. Fingerhut, E. Pines, E. T. J. Nibbering and T. Elsaesser.
 
The hydrated excess proton - Ultrafast vibrational dynamics of the Zundel cation H5O2+.
 
in XXth International Conference on Ultrafast Phenomena, L. DiMauro, M. Kuwata-Gonokami, G. Cerullo and J. Ogilvie, eds., OSA Publishing’s Digital Library, xx-yy (2016).
 
Download PDF/PS-File or URL: C1-P-2016.xx
 
GLS16b
C1-P-2016.xx
  B. Guchhait, Y. Liu, T. Siebert and T. Elsaesser.
 
Hydration of native DNA: Ultrafast structural dynamics and short-range electric fields.
 
in XXth International Conference on Ultrafast Phenomena, L. DiMauro, M. Kuwata-Gonokami, G. Cerullo and J. Ogilvie, eds., OSA Publishing’s Digital Library, xx-yy (2016).
 
Download PDF/PS-File or URL: C1-P-2016.yy
 
SGL16
C1-P-2016.03
  T. Siebert, B. Guchhait, Y. Liu, B. P. Fingerhut and T. Elsaesser.
 
Range, magnitude, and ultrafast dynamics of electric fields at the hydrated DNA surface.
 
J. Phys. Chem. Lett. 7 (2016) 3131−3136
 
Download PDF/PS-File or URL: C1-P-2016.03
 
DCP16
C1-P-2016.02
  F. Dahms, R. Costard, E. Pines, B. P. Fingerhut, E. T. J. Nibbering and T. Elsaesser.
 
The hydrated excess proton in the Zundel cation H5O2+: The role of ultrafast solvent fluctuations.
 
Angew. Chem. Int. Ed. 55 (2016) 10600–10605 (Angew. Chem. 128 (2016), 10600–10605
 
Download PDF/PS-File or URL: C1-P-2016.02
 
DCN16
C1-P-2016.01
  F. Dahms, R. Costard, E. T. J. Nibbering and T. Elsaesser.
 
Ultrafast vibrational energy flow in water monomers in acetonitrile.
 
Chem. Phys. Lett. 652 (2016) 50-55
 
Download PDF/PS-File or URL: C1-P-2016.01
 
GLS16
C1-P-2015.10
  B. Guchhait, Y. Liu, T. Siebert and T. Elsaesser.
 
Ultrafast vibrational dynamics of the DNA backbone at different hydration levels mapped by two-dimensional infrared spectroscopy.
 
Struct. Dynam. 3 (2016) 043202/1-15
 
Download PDF/PS-File or URL: C1-P-2015.10
 
CTF15a
C1-P-2015.09
  R. Costard, T. Tyborski, and B. P. Fingerhut.
 
Anharmonicities and coherent vibrational dynamics of phosphate ions in bulk H2O.
 
Phys. Chem. Chem. Phys. 17 (2015) 29906-29917
 
Download PDF/PS-File or URL: C1-P-2015.09
 
SGL15
C1-P-2015.03
  T. Siebert, B. Guchhait, Y. Liu, R. Costard and T. Elsaesser.
 
Anharmonic backbone vibrations in ultrafast processes at the DNA−water interface.
 
J. Phys. Chem. B 119 (2015) 9670−9677
 
Download PDF/PS-File or URL: C1-P-2015.03
 
CHE15
C1-P-2014.08
  R. Costard, I. A. Heisler and T. Elsaesser.
 
Hydrated phospholipid surfaces probed by ultrafast 2D spectroscopy of phosphate vibrations.
 
in: Ultrafast Phenomena XIX , K. Yamanouchi, S. Cundiff, R. de Vivie-Riedle, M. Kuwata-Gonokami, L. DiMauro (Eds.), Springer, Heidelberg (2015) p. 301-304
 
Download PDF/PS-File or URL: C1-P-2014.08
 
CTF15
C1-P-2014.06
  R. Costard, T. Tyborski, B. P. Fingerhut and T. Elsaesser.
 
Ultrafast phosphate hydration dynamics in bulk H2O.
 
J. Chem. Phys. 142 (2015) 212406/1-9
 
Download PDF/PS-File or URL: C1-P-2014.06
 
CTF15
C0-P-2014.01
  T. Elsaesser.
 
Wasser und Biomoleküle: Ultraschnelle Dynamik von Strukturen und Schwingungen.
 
Chemie in Unserer Zeit 49 (2015) 48-58
 
Download PDF/PS-File or URL: C0-P-2014.01
 
CHE14
C1-P-2013.08
  R. Costard, I. A. Heisler and T. Elsaesser.
 
Structural dynamics of hydrated phospholipid surfaces probed by ultrafast 2D spectroscopy of phosphate vibrations.
 
J. Phys. Chem. Lett. 5 (2014) 506-51
 
Download PDF/PS-File or URL: C1-P-2013.08
 
GE113
C1-P-2013.06
  C. Greve and T. Elsaesser.
 
Ultrafast two-dimensional infrared spectroscopy of guanine-cytosine base pairs in DNA oligomers.
 
J. Phys. Chem. B 117 (2013) 14009-14017
 
Download PDF/PS-File or URL: C1-P-2013.06
 
CEl13
C1-P-2013.03
  R. Costard and T. Elsaesser.
 
Femtosecond OH bending dynamics of water nanopools confined in reverse micelles.
 
J. Phys. Chem. B 117 (2013) 15338-15345
 
Download PDF/PS-File or URL: C1-P-2013.03
 
KNT13
C1-P-2013.01
  B. Koeppe, E. T. J. Nibbering and P. M. Tolstoy.
 
NMR and FT-IR studies on the association of derivatives of thymidine, adenosine, and 6-N-methyl-adenosine in aprotic solvents.
 
Z. Phys. Chem. 227 (2013) 723-749
 
Download PDF/PS-File or URL: C1-P-2013.01
 
ESY13
C1-P-2012.03
  T. Elsaesser, L. Szyc and M. Yang.
 
Ultrafast structural and vibrational dynamics of the hydration shell around DNA.
 
in: Ultrafast Phenomena XVIII, M. Chergui, A. Taylor, S. Cundiff, R. de Vivie-Riedle, K. Yamagouchi (Eds.), EDP Sciences, (2013) p. 06004/1-3
 
Download PDF/PS-File or URL: C1-P-2012.03
 
CGL13
C1-P-2012.06
  R. Costard, C. Greve, N. E. Levinger, E. T. J. Nibbering and T. Elsaesser
 
Ultrafast vibrational dynamics of water confined in phospholipid micelles.
 
in: Ultrafast Phenomena XVIII, M. Chergui, A. Taylor, S. Cundiff, R. de Vivie-Riedle, K. Yamagouchi (Eds.), EDP Sciences, (2013) p. 06003/1-3
 
Download PDF/PS-File or URL: C1-P-2012.06
 
GPC13
C1-P-2012.12
  C. Greve, N. K. Preketes, R. Costard, B. Koeppe, H. Fidder, E. T. J. Nibbering, F. Temps, S. Mukamel and T. Elsaesser.
 
Ultrafast IR pump-probe and 2D-IR photon echo spectroscopy of adenosine-thymidine base pairs.
 
in: Ultrafast Phenomena XVIII, M. Chergui, A. Taylor, S. Cundiff, R. de Vivie-Riedle, K. Yamanouchi (Eds.), EDP Sciences, (2013) p. 05019/1-3
 
Download PDF/PS-File or URL: C1-P-2012.12
 
DSN13
C1-P-2012.13
  J. R. Dwyer, L. Szyc, E. T. J. Nibbering and T. Elsaesser.
 
Note: An environment cell for transient spectroscopy on solid samples in controlled atmospheres.
 
Rev. Sci. Instrum. 84 (2013) 036101/1-2
 
Download PDF/PS-File or URL: C1-P-2012.13
 
FYN13
C1-P-2012.11
  H. Fidder, M. Yang, E. T. J. Nibbering, T. Elsaesser, K. Röttger and F. Temps.
 
N-H stretching vibrations of guanosine-thymidine base pairs in solution: Ultrafast dynamics, couplings, and line shapes.
 
J. Phys. Chem. A 117 (2013) 845-854
 
Download PDF/PS-File or URL: C1-P-2012.11
 
GPF13
C1-P-2012.09
  C. Greve, N. K. Preketes, R. Costard, B. Koeppe, H. Fidder, E. T. J. Nibbering, F. Temps, S. Mukamel and T. Elsaesser.
 
N-H stretching excitations in adenosine-thymidine base pairs in solution: Pair geometries, infrared line shapes and ultrafast vibrational dynamics.
 
J. Phys. Chem. A 117 (2013) 594-606
 
Download PDF/PS-File or URL: C1-P-2012.09
 
CGH12
C1-P-2012.08
  R. Costard, C. Greve, I. A. Heisler and T. Elsaesser.
 
Ultrafast energy redistribution in local hydration shells of phospholipids - a two-dimensional infrared study.
 
J. Phys. Chem. Lett. 3 (2012) 3646-3651
 
Download PDF/PS-File or URL: C1-P-2012.08
 
CLN12
C1-P-2012.01
  R. Costard, N. E. Levinger, E. T. J. Nibbering and T. Elsaesser.
 
Ultrafast vibrational dynamics of water confined in phospholipid reverse micelles.
 
J. Phys. Chem. B 116 (2012) 5752-5759
 
Download PDF/PS-File or URL: C1-P-2012.01
 
YSE12
C1-P-2011.11
  M. Yang, L. Szyc and T. Elsaesser.
 
Vibrational dynamics of the water shell of DNA studied by femtosecond two-dimensional infrared spectroscopy.
 
J. Photochem. Photobiol. A 234 (2012) 49-56
 
Download PDF/PS-File or URL: C1-P-2011.11
 
YSE11
C1-P-2011.10
  M. Yang, L. Szyc and T. Elsaesser.
 
Decelerated water dynamics and vibrational couplings of hydrated DNA mapped by two-dimensional infrared spectroscopy.
 
J. Phys. Chem. B 115 (2011) 13093-13100
 
Download PDF/PS-File or URL: C1-P-2011.10
 
LCN11
C1-P-2011.08
  N. E. Levinger, R. Costard, E. T. J. Nibbering and T. Elsaesser.
 
Ultrafast energy migration pathways in self-assembled phospholipids interacting with confined water.
 
J. Phys. Chem. A 115 (2011) 11952-11959
 
Download PDF/PS-File or URL: C1-P-2011.08
 
YSR11
C1-P-2010.09
  M. Yang, L. Szyc, K. Röttger, H. Fidder, E. T. J. Nibbering, T. Elsaesser and F. Temps.
 
Dynamics and couplings of N-H stretching excitations of guanosine-cytidine base pairs in solution.
 
J. Phys. Chem. B 115 (2011) 5484-5492
 
Download PDF/PS-File or URL: C1-P-2010.09
 
YSE11b
C1-P-2010.13
  M. Yang, L. Szyc and T. Elsaesser.
 
Ultrafast vibrational dynamics of hydrated DNA studied by 2D infrared spectroscopy.
 
in Ultrafast Phenomena XVII, M. Chergui, D. M. Jonas, E. Riedle, R. W. Schoenlein and A. J. Taylor, eds., pp. 472-474 (Oxford University Press, Oxford, 2011).
 
Download PDF/PS-File or URL: C1-P-2010.13
 
YSE11a
C1-P-2010.07
  M. Yang, L. Szyc and T. Elsaesser.
 
Femtosecond two-dimensional infrared spectroscopy of adenine-thymine base pairs in DNA oligomers.
 
J. Phys. Chem. B 115 (2011) 1262-1267
 
Download PDF/PS-File or URL: C1-P-2010.07
 
 

Publications on

Coherent vibrational response in hydrogen bonds (1998-2010)

Project SFB450-B2 ( SFB 450 "Analysis and control of ultrafast photoinduced reactions")

 
SYE11
C1-P-2010.12
  L. Szyc, M. Yang and T. Elsaesser.
 
Ultrafast dynamics of phosphate-water interactions in hydrated DNA.
 
in Ultrafast Phenomena XVII, M. Chergui, D. M. Jonas, E. Riedle, R. W. Schoenlein and A. J. Taylor, eds., pp. 493-495 (Oxford University Press, Oxford, 2011).
 
Download PDF/PS-File or URL: C1-P-2010.12
 
YSD10
C1-P-2010.05
  M. Yang, L. Szyc, J. Dreyer, E. T. J. Nibbering and T. Elsaesser.
 
The hydrogen-bonded 2-pyridone dimer model system. 2. Femtosecond mid-infrared pump-probe study.
 
J. Phys. Chem. A 114 (2010) 12195-12201
 
Download PDF/PS-File or URL: C1-P-2010.05
 
SGY10
C1-P-2010.04
  L. Szyc, J. Guo, M. Yang, J. Dreyer, P. M. Tolstoy, E. T. J. Nibbering, B. Czarnik-Matusewicz, T. Elsaesser and H.-H. Limbach.
 
The hydrogen-bonded 2-pyridone dimer model system. 1. Combined NMR and FT-IR spectroscopy study.
 
J. Phys.Chem. A 114 (2010) 7749-7760
 
Download PDF/PS-File or URL: C1-P-2010.04
 
SYE10
C1-P-2010.01
  L. Szyc, M. Yang and T. Elsaesser.
 
Ultrafast energy exchange via water-phosphate interactions in hydrated DNA.
 
J. Phys. Chem. B 114 (2010) 7951-7957
 
Download PDF/PS-File or URL: C1-P-2010.01
 
SYN10b
C1-P-2010.02
  L. Szyc, M. Yang, E. T. J. Nibbering and T. Elsaesser.
 
Ultraschnelle Schwingungsdynamik und lokale Wechselwirkungen in hydratisierter DNA.
 
Angew. Chem. 122 (2010) 3680-3693
 
Download PDF/PS-File or URL: C1-P-2010.02
 
SYN10a
C1-P-2009.06
  L. Szyc, M. Yang, E. T. J. Nibbering and T. Elsaesser.
 
Ultrafast vibrational dynamics and local interactions of hydrated DNA.
 
Angew. Chem. Int. Ed. 49 (2010) 3598-3611
 
Download PDF/PS-File or URL: C1-P-2009.06
 
DSN08b
C1-P-2008.05
  J. R. Dwyer, L. Szyc, E. T. J. Nibbering and T. Elsaesser.
 
Ultrafast vibrational dynamics of adenine-thymine base pairs in hydrated DNA.
 
in Ultrafast Phenomena XVI, Springer Ser. Chem. Phys. 92, P. Corkum, S. De Silvestri, K. A. Nelson, E. Riedle and R. Schoenlein, eds., pp. 535-537 (Springer, Berlin, Germany, 2009).
 
Download PDF/PS-File or URL: C1-P-2008.05
 
GWG08
C1-P-2008.04
  G. Gavrila, Ph. Wernet, K. Godehusen, C. Weniger, E. T. J. Nibbering, T. Elsaesser and W. Eberhardt.
 
Ultrafast temperature jumps in liquid water studied by a infrared-pump and x-ray absorption-probe spectroscopy.
 
in Ultrafast Phenomena XVI, Springer Ser. Chem. Phys. 92, P. Corkum, S. De Silvestri, K. A. Nelson, E. Riedle and R. Schoenlein, eds., pp. 505-507 (Springer, Berlin, Germany, 2009).
 
Download PDF/PS-File or URL: C1-P-2008.04
 
Els09b
C0-P-2009.01
  T. Elsaesser.
 
Two-dimensional infrared spectroscopy of intermolecular hydrogen bonds in the condensed phase.
 
Acc. Chem. Res. 42 (2009) 1220-1228
 
Download PDF/PS-File or URL: C1-P-2009.01
 
Els09a
C0-P-2009.02
  T. Elsaesser.
 
Ultrafast memory loss and relaxation processes in hydrogen bonded systems.
 
Biol. Chem. 390 (2009) 1125-1132
 
Download PDF/PS-File or URL: C1-P-2009.02
 
RIE09
C1-P-2009.05
  R. Rey, F. Ingrosso, T.Elsaesser and J. T. Hynes
 
Pathways for H2O bend vibrational relaxation in liquid water.
 
J. Phys. Chem. A 113 (2009) 8949-8962
 
Download PDF/PS-File or URL: C0-P-2009.05
 
IRE09
C1-P-2009.04
  F. Ingrosso, R. Rey, T. Elsaesser and J. T. Hynes
 
Ultrafast energy transfer from the intramolecular bending vibration to librations in liquid water.
 
J. Phys. Chem. A 113 (2009) 6657-6665
 
Download PDF/PS-File or URL: C0-P-2009.04
 
GGW09
C1-P-2008.14
  G. Gavrila, K. Godehusen, C. Weniger, E. T. J. Nibbering, T. Elsaesser, W. Eberhardt and Ph. Wernet.
 
Time-resolved x-ray spectroscopy of infrared-laser induced temperature jumps in liquid water.
 
Appl. Phys. A 96 (2009) 11-18
 
Download PDF/PS-File or URL: C1-P-2008.14
 
SDN09
C1-P-2008.10
  L. Szyc, J. R. Dwyer, E. T. J. Nibbering and T. Elsaesser.
 
Ultrafast dynamics of N-H and O-H stretching excitations in hydrated DNA oligomers.
 
Chem. Phys. 357 (2009) 36-44
 
Download PDF/PS-File or URL: C1-P-2008.10
 
DSN08a
C1-P-2008.08
  J. R. Dwyer, L. Szyc, E. T. J. Nibbering and T. Elsaesser.
 
Ultrafast vibrational dynamics of adenine-thymine base pairs in DNA oligomers.
 
J. Phys. Chem. B 112 (2008), 11194-11197
 
Download PDF/PS-File or URL: C1-P-2008.08
 
WGG08
C1-P-2008.01
  Ph. Wernet, G. Gavrila, K. Godehusen, C. Weniger, E. T. J. Nibbering, T. Elsaesser and W. Eberhardt
 
Ultrafast temperature jump in liquid water studied by a novel infrared pump - x-ray probe technique.
 
Appl. Phys. A 92 (2008) 511-516
 
Download PDF/PS-File or URL: C1-P-2008.01
 
Els08
C0-P-2008.01
  T. Elsaesser.
 
Ultrafast structural dynamics of hydrogen bonds in the liquid phase.
 
L'Actualité Chimique 320/321 (2008) 27-32
 
Download PDF/PS-File or URL: C0-P-2008.01
 
KCP08
C1-P-2007.08
  D. Kraemer, M. L. Cowan, A. Paarmann, N. Huse, E. T. J. Nibbering, T. Elsaesser and R. J. Dwayne Miller.
 
Temperature dependence of the two-dimensional infrared spectrum of liquid H2O.
 
Proc. Natl. Acad. Sci. USA 105 (2008) 437-442
 
Download PDF/PS-File or URL: C1-P-2007.08
 
EHD07
C1-P-2007.05
  T. Elsaesser, N. Huse, J. Dreyer, J. R. Dwyer, K. Heyne and E. T. J. Nibbering.
 
Ultrafast vibrational dynamics and anharmonic couplings of hydrogen-bonded dimers in solution.
 
Chem. Phys. 341 (2007) 175-188
 
Download PDF/PS-File or URL: C1-P-2007.05
 
PCK07
C1-P-2006.05
  A. Paarmann, D. Kraemer, M. L. Cowan, N. Huse, M. Harb, B. D. Bruner, J. R. Dwyer, E. T. J. Nibbering, T. Elsaesser and R. J. D. Miller.
 
2D-IR photon echo spectroscopy of liquid H2O - Combination of novel nanofluidics and diffractive optics deciphers ultrafast structural dynamics.
 
in Ultrafast Phenomena XV, Springer Ser. Chem. Phys. 88, P. Corkum, D. Jonas, R. J. D. Miller and A. M. Weiner, eds., pp. 335-337 (Springer, Berlin, Germany, 2007).
 
Download PDF/PS-File or URL: C1-P-2006.05
 
AHN07
C1-P-2006.02
  S. Ashihara, N. Huse, E. T. J. Nibbering and T. Elsaesser.
 
Ultrafast relaxation dynamics of O-H bending and librational excitations in liquid H2O.
 
in Ultrafast Phenomena XV, Springer Ser. Chem. Phys. 88, P. Corkum, D. Jonas, R. J. D. Miller and A. M. Weiner, eds., pp. 436-438 (Springer, Berlin, Germany, 2007).
 
Download PDF/PS-File or URL: C1-P-2006.02
 
NDK07
C1-P-2006.11
  E. T. J. Nibbering, J. Dreyer, O. Kühn, J. Bredenbeck, P. Hamm and T. Elsaesser.
 
Vibrational dynamics of hydrogen bonds.
 
in: Analysis and Control of Ultrafast Photoinduced Reactions, O. Kühn, L. Wöste eds. Springer Series in Chemical Physics Vol. 87 (Springer Berlin 2007) pp. 619-687
 
Download PDF/PS-File or URL: C1-P-2006.11
 
AHE07
C1-P-2006.13
  S. Ashihara, N. Huse, A. Espagne, E. T. J. Nibbering and T. Elsaesser.
 
Ultrafast structural dynamics of water induced by dissipation of vibrational energy.
 
J. Phys. Chem. A 111 (2007) 743-746
 
Download PDF/PS-File or URL: C1-P-2006.13
 
DDN06
C1-P-2006.12
  J. R. Dwyer, J. Dreyer, E. T. J. Nibbering and T. Elsaesser.
 
Ultrafast dynamics of vibrational N-H stretching excitations in the 7-azaindole dimer
 
Chem. Phys. Lett. 432 (2006) 146-151
 
Download PDF/PS-File or URL: C1-P-2006.12
 
Els06a
C0-P-2004.02
  T. Elsaesser.
 
Coherent low-frequency motions in condensed phase hydrogen bonding and transfer
 
in Handbook of Hydrogen Transfer Reactions; Vol. 2: Physical and Chemical Aspects 2, J. T. Hynes, J. P. Klinman, H.-H. Limbach and R. L. Schowen, eds., pp. 459-477,(Wiley-VCH, Weinheim, Germany, 2006)
 
Download PDF/PS-File or URL:
 
AHE06
C1-P-2006.01
  S. Ashihara, N. Huse, A. Espagne, E. T. J. Nibbering and T. Elsaesser.
 
Vibrational couplings and ultrafast relaxation of the O-H bending mode in liquid H2O.
 
Chem. Phys. Lett. 424 (2006) 66-70
 
Download PDF/PS-File or URL: C1-P-2006.01
 
EHH06
C1-P-2003.15
  T. Elsaesser, K. Heyne, N. Huse and E. T. J. Nibbering.
 
Ultrafast vibrational dynamics of hydrogen bonded dimers in solution
 
in Time Resolved Vibrational Spectroscopy XI, S. Califano, P. Foggi and R. Righini, eds. , pp. 69-75 (Leo S. Olschki, Citta di Castello, Italy, 2006)
 
NBC05
C1-P-2004.17
  N. Huse, B. D. Bruner, M. L. Cowan, J. Dreyer, E. T. J. Nibbering, R. J. D. Miller and T. Elsaesser.
 
Anharmonic coupling underlying ultrafast vibrational dynamics of hydrogen bonds in liquids.
 
Phys. Rev. Lett. 95 (2005) 147402/1-4.
 
Download PDF/PS-File or URL: C1-P-2004.17
 
HBC05
C1-P-2004.12
  N. Huse, B. D. Bruner, M. L. Cowan, J. Dreyer, E. T. J. Nibbering, T. Elsaesser, and R. J. D. Miller.
 
Heterodyne 2D-IR photon echo spectroscopy of multi-level OH stretching coherences in hydrogen bonds.
 
in Ultrafast Phenomena XIV, Springer Ser. Chem. Phys. 79, T. Kobayashi, T. Okada, T. Kobayashi, K. A. Nelson and S. De Silvestri, eds., pp. 407-409 (Springer, Berlin, 2005).

  Download PDF/PS-File or URL: C1-P-2004.12
 
HPN05
C1-P-2004.11
  K. Heyne, M. Petkovi, E. T. J. Nibbering, O. Kühn and T. Elsaesser.
 
Cascaded energy redistribution upon O-H stretch excitation in an intramolecular hydrogen bonded system.
 
in Ultrafast Phenomena XIV, Springer Ser. Chem. Phys. 79, T. Kobayashi, T. Okada, T. Kobayashi, K. A. Nelson and S. De Silvestri, eds., pp. 389-391 (Springer, Berlin, 2005).
 
Download PDF/PS-File or URL: C1-P-2004.11
 
HAN05
C1-P-2005.03
  N. Huse, S. Ashihara, E. T. J. Nibbering and T. Elsaesser
 
Ultrafast vibrational relaxation of O-H bending and librational excitations in liquid H2O.
 
Chem. Phys. Lett. 404 (4-6), 389-393 (2005).
 
Download PDF/PS-File or URL: C1-P-2005.03
 
CBH05
C1-P-2004.16
  M. L. Cowan, B. D. Bruner, N. Huse, J. R. Dwyer, B. Chugh, E. T. J. Nibbering, T. Elsaesser and R. J. D. Miller.
 
Ultrafast memory loss and energy redistribution in the hydrogen bond network of liquid H2O.
 
Nature 434 (7030), 199-202 (2005).
 
Download PDF/PS-File or URL: C1-P-2004.16
 
HNE04
C1-P-2004.03
  K. Heyne, E. T. J. Nibbering, T. Elsaesser, M. Petkovi and O. Kühn.
 
Cascaded energy redistribution upon O-H stretching excitation in an intramolecular hydrogen bond.
 
J. Phys. Chem. A 108 (29), 6083-6086 (2004).
 
Download PDF/PS-File or URL: C1-P-2004.03
 
HHD04
C1-P-2004.02
  K. Heyne, N. Huse, J. Dreyer, E. T. J. Nibbering, T. Elsaesser and S. Mukamel.
 
Coherent low-frequency motions of hydrogen bonded acetic acid dimers in the liquid phase.
 
J. Chem. Phys. 121 (2), 902-913 (2004).
 
Download PDF/PS-File or URL: C1-P-2004.02
 
ELSa04
C1-P-2003.14
  T. Elsaesser, K. Heyne, N. Huse and E. T. J. Nibbering.
 
Ultrafast vibrational dynamics of hydrogen-bonded dimers in solution.
 
in Femtochemistry and Femtobiology: Ultrafast Events in Molecular Science, M. Martin, J. T. Hynes, eds., pp. 157-164 (Elsevier, Amsterdam, the Netherlands, 2004).
 
NE04
C1-P-2003.04
  E. T. J. Nibbering and T. Elsaesser. 
 
Ultrafast vibrational dynamics of hydrogen bonds in the condensed phase.
 
Chem. Rev. 104 (4), 1887-1914 (2004).
 
Download PDF/PS-File or URL: C1-P-2003.04
 
HHN03c
C1-P-2003.08 

 

K. Heyne, N. Huse, E. T. J. Nibbering and T. Elsaesser 
 
Ultrafast relaxation and anharmonic coupling of O-H stretching and bending excitations in cyclic acetic acid dimers
 
Chem. Phys. Lett. 382 (2003) 19-25
 
Download PDF/PS-File or URL: C1-P-2003.08
 
HHD03
C1-P-2002.17

 

N. Huse, K. Heyne, J. Dreyer, E. T. J. Nibbering and T. Elsaesser 
 
Vibrational multi-level quantum coherence due to anharmonic couplings in intermolecular hydrogen bonds
 
Phys. Rev. Lett. 91 (2003) 197401/1-4
 
Download PDF/PS-File or URL: C1-P-2002.17
 
HHN03a
C1-P-2002.12

 

K. Heyne, N. Huse, E. T. J. Nibbering and T. Elsaesser 
 
Ultrafast coherent nuclear motions of hydrogen bonded carboxylic acid dimers
 
Chem. Phys. Lett. 369 (2003) 591-596
 
Download PDF/PS-File or URL: C1-P-2002.12
 
HHN03b
C1-P-2002.16
  K. Heyne, N. Huse, E. T. J. Nibbering and T. Elsaesser 
 
Coherent vibrational dynamics of intermolecular hydrogen bonds in acetic acid dimers studied by ultrafast mid-infrared spectroscopy
 
J. Phys.: Condens. Matter 15 (2003) 129-136
 
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SMH03
C1-P-2002.07
  J. Stenger, D. Madsen, P. Hamm, E. T. J. Nibbering and T. Elsaesser
    A mid-infrared photon echo study of liquid water
    in Ultrafast Phenomena XIII, Springer Ser. Chem. Phys. 71, R. D. Miller, M. M. Murnane, N. F. Scherer and A. M. Weiner, Eds. (Springer Verlag, Berlin, 2003) pp. 577-579
 
SMD02b
C1-P-2001.18
  J. Stenger, D. Madsen, J. Dreyer, E. T. J. Nibbering, P. Hamm and T. Elsaesser
 
Ultrafast dynamics of hydrogen bonds in the liquid phase: Vibrational quantum beats and dephasing
 
in Femtochemistry and Femtobiology, A. Douhal and J. Santamaria, eds. (World Scientific, Singapore, 2002), pp. 169-184
 
MSD02
C1-P-2001.16 
  D. Madsen, J. Stenger, J. Dreyer, P. Hamm, E. T. J. Nibbering and T. Elsaesser 
 
Femtosecond mid-infrared pump-probe study of wave packet motion in a medium-strong intramolecular hydrogen bond
 
Bull. Chem. Soc. Jpn. 75 (2002) 909-917
 
Download PDF/PS-File or URL: C1-P-2001.16
 
SMD02a
C1-P-2001.19
 
  J. Stenger, D. Madsen, J. Dreyer, P. Hamm, E. T. J. Nibbering and T. Elsaesser 
 
Femtosecond mid-infrared photon echo study of an intramolecular hydrogen bond
 
Chem. Phys. Lett. 354 (2002) 256-263
 
Download PDF/PS-File or URL: C1-P-2001.19
 
SMH02 
C1-P-2001.11
  J. Stenger, D. Madsen, P. Hamm, E. T. J. Nibbering and T. Elsaesser 
 
A photon echo peak shift study of liquid water
 
J. Phys. Chem. A 106 (2002) 2341-2350
 
Download PDF/PS-File or URL: C1-P-2001.11
 
SMH01
C1-P-2001.03
  J. Stenger, D. Madsen, P. Hamm, E. T. J. Nibbering and T. Elsaesser 
 
Ultrafast vibrational dephasing of liquid water
 
Phys. Rev. Lett. 87 (2001) 027401
 
Download PDF/PS-File or URL: C1-P-2001.03
 
MSD01
C1-P-2001.06
  D. Madsen, J. Stenger, J. Dreyer, E. T. J. Nibbering, P. Hamm and T. Elsaesser 
 
Coherent vibrational ground-state dynamics of an intramolecular hydrogen bond
 
Chem. Phys. Lett. 341 (2001) 56-62
 
Download PDF/PS-File or URL: C1-P-2001.06
 
SMD01
C1-P-2000.09 
  J. Stenger, D. Madsen, J. Dreyer, E. T. J. Nibbering, P. Hamm and T. Elsaesser 
 
Coherent response of hydrogen bonds in liquids probed by ultrafast vibrational spectroscopy
 
J. Phys. Chem. A 105 (2001) 2929-2932
 
Download PDF/PS-File or URL: C1-P-2000.09
 
SMD00
C1-P-2000.19 
  J. Stenger, D. Madsen, J. Dreyer, E. T. J. Nibbering, P. Hamm and T. Elsaesser
 
Ultrafast coherent response of hydrogen bonds
 
in Ultrafast Phenomena XII, Springer Ser. Chem. Phys. 66, T. Elsaesser, S. Mukamel, M. M. Murnane, N. F. Scherer, Eds. (Springer Verlag, Berlin, 2000), pp. 542-544
 
Download PDF/PS-File or URL: C1-P-2000.19