Anharmonic exciton dynamics and energy dissipation in liquid water from two-dimensional infrared spectroscopy

De Marco, Luigi; Fournier, Joseph A.; Thämer, Martin; Carpenter, William; Tokmakoff, Andrei

doi:10.1063/1.4961752

Title: Anharmonic exciton dynamics and energy dissipation in liquid water from two-dimensional infrared spectroscopy

Journal Article · Thu Sep 01 00:00:00 EDT 2016 · Journal of Chemical Physics

DOI:https://doi.org/10.1063/1.4961752· OSTI ID:1600624

De Marco, Luigi ^[1]; Fournier, Joseph A. ^[2]; Thämer, Martin ^[3];

^[2]; Tokmakoff, Andrei ^[2]

Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States); Univ. of Chicago, IL (United States)
Univ. of Chicago, IL (United States)
Univ. of Chicago, IL (United States); FHI Berlin (Germany)

Water’s extended hydrogen-bond network results in rich and complex dynamics on the sub-picosecond time scale. In this paper, we present a comprehensive analysis of the two-dimensional infrared (2D IR) spectrum of O–H stretching vibrations in liquid H₂O and their interactions with bending and intermolecular vibrations. By exploring the dependence of the spectrum on waiting time, temperature, and laser polarization, we refine our molecular picture of water’s complex ultrafast dynamics. The spectral evolution following excitation of the O–H stretching resonance reveals vibrational dynamics on the 50–300 fs time scale that are dominated by intermolecular delocalization. These O–H stretch excitons are a result of the anharmonicity of the nuclear potential energy surface that arises from the hydrogen-bonding interaction. The extent of O–H stretching excitons is characterized through 2D depolarization measurements that show spectrally dependent delocalization in agreement with theoretical predictions. Furthermore, we show that these dynamics are insensitive to temperature, indicating that the exciton dynamics alone set the important time scales in the system. Finally, we study the evolution of the O–H stretching mode, which shows highly non-adiabatic dynamics suggestive of vibrational conical intersections. We argue that the so-called heating, commonly observed within ~1 ps in nonlinear IR spectroscopy of water, is a nonequilibrium state better described by a kinetic temperature rather than a Boltzmann distribution. Finally, our conclusions imply that the collective nature of water vibrations should be considered in describing aqueous solvation.

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Research Organization:: Univ. of Chicago, IL (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences, and Biosciences Division

Grant/Contract Number:: SC0014305; FOA-0000995

OSTI ID:: 1600624

Alternate ID(s):: OSTI ID: 1314342

Journal Information:: Journal of Chemical Physics, Vol. 145, Issue 9; ISSN 0021-9606

Publisher:: American Institute of Physics (AIP)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 46 works

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References (110)

Vibrational energy transfer and anisotropy decay in liquid water: Is the Förster model valid? Yang, Mino; Li, Fu; Skinner, J. L. The Journal of Chemical Physics, Vol. 135, Issue 16 https://doi.org/10.1063/1.3655894	journal	October 2011
On the nature of OH-stretching vibrations in hydrogen-bonded chains: Pump frequency dependent vibrational lifetime Knop, Stephan; Jansen, Thomas La Cour; Lindner, Jörg Physical Chemistry Chemical Physics, Vol. 13, Issue 10 https://doi.org/10.1039/c0cp02143a	journal	January 2011
First-Principle Analysis of the IR Stretching Band of Liquid Water Zhang, Cui; Donadio, Davide; Galli, Giulia The Journal of Physical Chemistry Letters, Vol. 1, Issue 9 https://doi.org/10.1021/jz100232z	journal	April 2010
IR and Raman spectra of liquid water: Theory and interpretation Auer, B. M.; Skinner, J. L. The Journal of Chemical Physics, Vol. 128, Issue 22 https://doi.org/10.1063/1.2925258	journal	June 2008
Structural Rearrangements in Water Viewed Through Two-Dimensional Infrared Spectroscopy Roberts, Sean T.; Ramasesha, Krupa; Tokmakoff, Andrei Accounts of Chemical Research, Vol. 42, Issue 9 https://doi.org/10.1021/ar900088g	journal	September 2009
Generation of 45 femtosecond pulses at 3 μm with a KNbO3 optical parametric amplifier Fecko, C. J.; Loparo, J. J.; Tokmakoff, A. Optics Communications, Vol. 241, Issue 4-6 https://doi.org/10.1016/j.optcom.2004.07.038	journal	November 2004
The Infra-Red Spectra of Polyatomic Molecules. Part II Dennison, David M. Reviews of Modern Physics, Vol. 12, Issue 3 https://doi.org/10.1103/RevModPhys.12.175	journal	July 1940
Anharmonic bend–stretch coupling in neat liquid water Lindner, Jörg; Cringus, Dan; Pshenichnikov, Maxim S. Chemical Physics, Vol. 341, Issue 1-3 https://doi.org/10.1016/j.chemphys.2007.07.051	journal	November 2007
Polarization-selective third-order spectroscopy of coupled vibronic states Golonzka, O.; Tokmakoff, A. The Journal of Chemical Physics, Vol. 115, Issue 1 https://doi.org/10.1063/1.1376144	journal	July 2001
Vibrational spectroscopy of HOD in liquid D2O. III. Spectral diffusion, and hydrogen-bonding and rotational dynamics Lawrence, C. P.; Skinner, J. L. The Journal of Chemical Physics, Vol. 118, Issue 1 https://doi.org/10.1063/1.1525802	journal	January 2003
The Structure and Properties of Water Eisenberg, D.; Kauzmann, W. Oxford University Press https://doi.org/10.1093/acprof:oso/9780198570264.001.0001	book	January 2005
Prethermalization and Thermalization in Models with Weak Integrability Breaking Bertini, Bruno; Essler, Fabian H. L.; Groha, Stefan Physical Review Letters, Vol. 115, Issue 18 https://doi.org/10.1103/PhysRevLett.115.180601	journal	October 2015
Nonlinear response of vibrational excitons: Simulating the two-dimensional infrared spectrum of liquid water Paarmann, A.; Hayashi, T.; Mukamel, S. The Journal of Chemical Physics, Vol. 130, Issue 20 https://doi.org/10.1063/1.3139003	journal	May 2009
Experimental Evidence of Fermi Resonances in Isotopically Dilute Water from Ultrafast Broadband IR Spectroscopy De Marco, Luigi; Ramasesha, Krupa; Tokmakoff, Andrei The Journal of Physical Chemistry B, Vol. 117, Issue 49 https://doi.org/10.1021/jp4034613	journal	May 2013
Compact implementation of Fourier transform two-dimensional IR spectroscopy without phase ambiguity J., Helbing,; P., Hamm, Optical Society of America (OSA) https://doi.org/10.5167/uzh-48410	text	January 2011
Water Dynamics: Vibrational Echo Correlation Spectroscopy and Comparison to Molecular Dynamics Simulations Asbury, John B.; Steinel, Tobias; Stromberg, C. The Journal of Physical Chemistry A, Vol. 108, Issue 7 https://doi.org/10.1021/jp036266k	journal	February 2004
Water (H2O and D2O) Molar Absorptivity in the 1000–4000 cm−1Range and Quantitative Infrared Spectroscopy of Aqueous Solutions Venyaminov, Sergei Yu.; Prendergast, Franklyn G. Analytical Biochemistry, Vol. 248, Issue 2 https://doi.org/10.1006/abio.1997.2136	journal	June 1997
Differences in the Vibrational Dynamics of H ₂ O and D ₂ O: Observation of Symmetric and Antisymmetric Stretching Vibrations in Heavy Water De Marco, Luigi; Carpenter, William; Liu, Hanchao The Journal of Physical Chemistry Letters, Vol. 7, Issue 10 https://doi.org/10.1021/acs.jpclett.6b00668	journal	April 2016
Two-dimensional infrared spectroscopy of isotope-diluted ice Ih Perakis, Fivos; Widmer, Susanne; Hamm, Peter The Journal of Chemical Physics, Vol. 134, Issue 20 https://doi.org/10.1063/1.3592561	journal	May 2011
Femtosecond Dynamics of Hydrogen Bonds in Liquid Water: A Real Time Study Lascoux, Noelle; Gallot, Guilhem; Hache, Francois Journal of the Chinese Chemical Society, Vol. 47, Issue 4A https://doi.org/10.1002/jccs.200000093	journal	August 2000
Local hydrogen bonding dynamics and collective reorganization in water: Ultrafast infrared spectroscopy of HOD/D2O Fecko, Christopher J.; Loparo, Joseph J.; Roberts, Sean T. The Journal of Chemical Physics, Vol. 122, Issue 5 https://doi.org/10.1063/1.1839179	journal	February 2005
Vibrational Substructure in the OH Stretching Transition of Water and HOD Wang, Zhaohui; Pakoulev, Andrei; Pang, Yoonsoo The Journal of Physical Chemistry A, Vol. 108, Issue 42 https://doi.org/10.1021/jp048545t	journal	October 2004
Ultrafast vibrational relaxation of O–H bending and librational excitations in liquid H2O Huse, Nils; Ashihara, Satoshi; Nibbering, Erik T. J. Chemical Physics Letters, Vol. 404, Issue 4-6 https://doi.org/10.1016/j.cplett.2005.02.007	journal	March 2005
Auxiliary computation for Fourier spectrometry Mertz, L. Infrared Physics, Vol. 7, Issue 1 https://doi.org/10.1016/0020-0891(67)90026-7	journal	March 1967
Band structure in the C–H stretching region of the Raman spectrum of the extended polymethylene chain: Influence of Fermi resonance Snyder, R. G.; Scherer, J. R. The Journal of Chemical Physics, Vol. 71, Issue 8 https://doi.org/10.1063/1.438751	journal	October 1979
Ultrafast Energy Equilibration in Hydrogen-Bonded Liquids Lock, A. J.; Woutersen, S.; Bakker, H. J. The Journal of Physical Chemistry A, Vol. 105, Issue 8 https://doi.org/10.1021/jp003158e	journal	March 2001
Ultrafast memory loss and energy redistribution in the hydrogen bond network of liquid H2O Cowan, M. L.; Bruner, B. D.; Huse, N. Nature, Vol. 434, Issue 7030 https://doi.org/10.1038/nature03383	journal	March 2005
Dissecting the THz spectrum of liquid water from first principles via correlations in time and space Heyden, M.; Sun, J.; Funkner, S. Proceedings of the National Academy of Sciences, Vol. 107, Issue 27 https://doi.org/10.1073/pnas.0914885107	journal	June 2010
Charge and Energy Transfer Dynamics in Molecular Systems May, Volkhard; Kühn, Oliver Wiley-VCH Verlag GmbH & Co. KGaA https://doi.org/10.1002/9783527633791	book	February 2011
Two-Dimensional Electronic Correlation and Relaxation Spectra: Theory and Model Calculations Gallagher Faeder, Sarah M.; Jonas, David M. The Journal of Physical Chemistry A, Vol. 103, Issue 49 https://doi.org/10.1021/jp9925738	journal	December 1999
Two-Dimensional Infrared Spectroscopy of Intermolecular Hydrogen Bonds in the Condensed Phase Elsaesser, Thomas Accounts of Chemical Research, Vol. 42, Issue 9 https://doi.org/10.1021/ar900006u	journal	September 2009
Infrared and Raman Line Shapes of Dilute HOD in Liquid H ₂ O and D ₂ O from 10 to 90 °C Corcelli, S. A.; Skinner, J. L. The Journal of Physical Chemistry A, Vol. 109, Issue 28 https://doi.org/10.1021/jp0506540	journal	July 2005
The Properties of Water: Insights from Quantum Simulations ^† Paesani, Francesco; Voth, Gregory A. The Journal of Physical Chemistry B, Vol. 113, Issue 17 https://doi.org/10.1021/jp810590c	journal	April 2009
Watching Hydrogen Bonds Break: A Transient Absorption Study of Water Steinel, Tobias; Asbury, John B.; Zheng, Junrong The Journal of Physical Chemistry A, Vol. 108, Issue 50 https://doi.org/10.1021/jp046711r	journal	December 2004
Quantum Local Monomer IR Spectrum of Liquid D ₂ O at 300 K from 0 to 4000 cm ^–1 Is in Near-Quantitative Agreement with Experiment Liu, Hanchao; Wang, Yimin; Bowman, Joel M. The Journal of Physical Chemistry B, Vol. 120, Issue 10 https://doi.org/10.1021/acs.jpcb.6b01722	journal	March 2016
Infrared and Raman Spectroscopy of Liquid Water through “First-Principles” Many-Body Molecular Dynamics Medders, Gregory R.; Paesani, Francesco Journal of Chemical Theory and Computation, Vol. 11, Issue 3 https://doi.org/10.1021/ct501131j	journal	February 2015
Nonadiabatic vibrational dynamics in the HCO2−⋅H2O complex Hamm, Peter; Stock, Gerhard The Journal of Chemical Physics, Vol. 143, Issue 13 https://doi.org/10.1063/1.4932189	journal	October 2015
Raman Spectral Studies of the Effects of Temperature on Water Structure Walrafen, G. E. The Journal of Chemical Physics, Vol. 47, Issue 1 https://doi.org/10.1063/1.1711834	journal	July 1967
Isotropically resolved label-free tomographic imaging based on tomographic moulds for optical trapping Lee, Moosung; Kim, Kyoohyun; Oh, Jeonghun Light: Science & Applications, Vol. 10, Issue 1 https://doi.org/10.1038/s41377-021-00535-4	journal	May 2021
Generation of tunable octave-spanning mid-infrared pulses by filamentation in gas media Cheng, Mark; Reynolds, Anthony; Widgren, Heather Optics Letters, Vol. 37, Issue 11 https://doi.org/10.1364/OL.37.001787	journal	January 2012
On vibrational relaxation in liquids Oxtoby, David W.; Rice, Stuart A. Chemical Physics Letters, Vol. 42, Issue 1 https://doi.org/10.1016/0009-2614(76)80539-8	journal	August 1976
Nonequilibrium molecular dynamics simulations with a backward-forward trajectories sampling for multidimensional infrared spectroscopy of molecular vibrational modes Hasegawa, Taisuke; Tanimura, Yoshitaka The Journal of Chemical Physics, Vol. 128, Issue 6 https://doi.org/10.1063/1.2828189	journal	February 2008
Vibrational Conical Intersections as a Mechanism of Ultrafast Vibrational Relaxation Hamm, Peter; Stock, Gerhard American Physical Society https://doi.org/10.5167/uzh-73357	text	January 2012
Prethermalization Berges, J.; Borsányi, Sz.; Wetterich, C. Physical Review Letters, Vol. 93, Issue 14 https://doi.org/10.1103/PhysRevLett.93.142002	journal	September 2004
Extracting 2D IR frequency-frequency correlation functions from two component systems Fenn, Emily E.; Fayer, M. D. The Journal of Chemical Physics, Vol. 135, Issue 7 https://doi.org/10.1063/1.3625278	journal	August 2011
Communication: On the consistency of approximate quantum dynamics simulation methods for vibrational spectra in the condensed phase Rossi, Mariana; Liu, Hanchao; Paesani, Francesco The Journal of Chemical Physics, Vol. 141, Issue 18 https://doi.org/10.1063/1.4901214	journal	November 2014
Hydrogen Bond Dynamics in Water and Ultrafast Infrared Spectroscopy: A Theoretical Study Møller, Klaus B.; Rey, Rossend; Hynes, James T. The Journal of Physical Chemistry A, Vol. 108, Issue 7 https://doi.org/10.1021/jp035935r	journal	February 2004
Observing the Water Molecule Maréchal, Yves The Hydrogen Bond and the Water Molecule https://doi.org/10.1016/B978-044451957-3.50012-3	book	January 2007
Two-dimensional infrared spectroscopy of isotope-diluted ice Ih Perakis, F.; Widmer, S.; Hamm, P. American Institute of Physics https://doi.org/10.5167/uzh-49449	text	January 2011
Vibrational Energy Relaxation and Spectral Diffusion in Water and Deuterated Water Deàk, John C.; Rhea, Stuart T.; Iwaki, Lawrence K. The Journal of Physical Chemistry A, Vol. 104, Issue 21 https://doi.org/10.1021/jp994492h	journal	June 2000
Characterization of spectral diffusion from two-dimensional line shapes Roberts, Sean T.; Loparo, Joseph J.; Tokmakoff, Andrei The Journal of Chemical Physics, Vol. 125, Issue 8 https://doi.org/10.1063/1.2232271	journal	August 2006
Spectroscopic evidence for spatial correlations of hydrogen bonds in liquid water Green, J. L.; Lacey, A. R.; Sceats, M. G. The Journal of Physical Chemistry, Vol. 90, Issue 17 https://doi.org/10.1021/j100408a027	journal	August 1986
Two-dimensional infrared spectroscopy and ultrafast anisotropy decay of water Jansen, T. l. C.; Auer, B. M.; Yang, Mino The Journal of Chemical Physics, Vol. 132, Issue 22 https://doi.org/10.1063/1.3454733	journal	June 2010
Two-dimensional Fourier transform spectroscopy in the pump-probe geometry DeFlores, Lauren P.; Nicodemus, Rebecca A.; Tokmakoff, Andrei Optics Letters, Vol. 32, Issue 20 https://doi.org/10.1364/OL.32.002966	journal	January 2007
Ultrafast 2D IR anisotropy of water reveals reorientation during hydrogen-bond switching Ramasesha, Krupa; Roberts, Sean T.; Nicodemus, Rebecca A. The Journal of Chemical Physics, Vol. 135, Issue 5 https://doi.org/10.1063/1.3623008	journal	August 2011
Hydrogen bonding and fermi resonance of n-propylamine. Comparison of the results from i.r. and Raman measurements Wolff, H.; Wolff, E. Spectrochimica Acta Part A: Molecular Spectroscopy, Vol. 44, Issue 12 https://doi.org/10.1016/0584-8539(88)80168-5	journal	January 1988
Vibrational Spectroscopy and Dynamics of Water Perakis, Fivos; De Marco, Luigi; Shalit, Andrey Chemical Reviews, Vol. 116, Issue 13 https://doi.org/10.1021/acs.chemrev.5b00640	journal	April 2016
The OH stretching spectrum of liquid water: A random network model interpretation Belch, Alan C.; Rice, Stuart A. The Journal of Chemical Physics, Vol. 78, Issue 8 https://doi.org/10.1063/1.445416	journal	April 1983
Vibrational Spectroscopy as a Probe of Structure and Dynamics in Liquid Water Bakker, H. J.; Skinner, J. L. Chemical Reviews, Vol. 110, Issue 3 https://doi.org/10.1021/cr9001879	journal	March 2010
Anharmonicity of CH3 deformation vibrations and Fermi resonance between the symmetrical CH3 stretching mode and overtones of CH3 deformation vibrations Lavalley, J. C.; Sheppard, N. Spectrochimica Acta Part A: Molecular Spectroscopy, Vol. 28, Issue 11 https://doi.org/10.1016/0584-8539(72)80183-1	journal	November 1972
Probing intermolecular couplings in liquid water with two-dimensional infrared photon echo spectroscopy Paarmann, A.; Hayashi, T.; Mukamel, S. The Journal of Chemical Physics, Vol. 128, Issue 19 https://doi.org/10.1063/1.2919050	journal	May 2008
Ultrafast Dynamics of Liquid Water: Energy Relaxation and Transfer Processes of the OH Stretch and the HOH Bend Imoto, Sho; Xantheas, Sotiris S.; Saito, Shinji The Journal of Physical Chemistry B, Vol. 119, Issue 34 https://doi.org/10.1021/acs.jpcb.5b02589	journal	June 2015
Temperature dependence of the two-dimensional infrared spectrum of liquid H2O Kraemer, D.; Cowan, M. L.; Paarmann, A. Proceedings of the National Academy of Sciences, Vol. 105, Issue 2 https://doi.org/10.1073/pnas.0705792105	journal	January 2008
Signatures of the hydrogen bonding in the infrared bands of water Brubach, J. -B.; Mermet, A.; Filabozzi, A. The Journal of Chemical Physics, Vol. 122, Issue 18 https://doi.org/10.1063/1.1894929	journal	May 2005
Orientational relaxation dynamics in aqueous ionic solution: Polarization-selective two-dimensional infrared study of angular jump-exchange dynamics in aqueous 6M NaClO ₄ Ji, Minbiao; Gaffney, Kelly J. The Journal of Chemical Physics, Vol. 134, Issue 4 https://doi.org/10.1063/1.3530783	journal	January 2011
Electric Field Fluctuations Drive Vibrational Dephasing in Water Eaves, Joel D.; Tokmakoff, Andrei; Geissler, Phillip L. The Journal of Physical Chemistry A, Vol. 109, Issue 42 https://doi.org/10.1021/jp051364m	journal	October 2005
Computational IR spectroscopy of water: OH stretch frequencies, transition dipoles, and intermolecular vibrational coupling constants Choi, Jun-Ho; Cho, Minhaeng The Journal of Chemical Physics, Vol. 138, Issue 17 https://doi.org/10.1063/1.4802991	journal	May 2013
Absence of Diffusion in Certain Random Lattices Anderson, P. W. Physical Review, Vol. 109, Issue 5 https://doi.org/10.1103/PhysRev.109.1492	journal	March 1958
Local Substructures of Water Studied by Transient Hole-Burning Spectroscopy in the Infrared: Dynamics and Temperature Dependence Laenen, R.; Rauscher, C.; Laubereau, A. The Journal of Physical Chemistry B, Vol. 102, Issue 46 https://doi.org/10.1021/jp980667w	journal	November 1998
Spectra of water in the near- and mid-infrared region Libnau, Fred O.; Kvalheim, Olav M.; Christy, Alfred A. Vibrational Spectroscopy, Vol. 7, Issue 3 https://doi.org/10.1016/0924-2031(94)85014-3	journal	September 1994
Water vibrations have strongly mixed intra- and intermolecular character Ramasesha, Krupa; De Marco, Luigi; Mandal, Aritra Nature Chemistry, Vol. 5, Issue 11 https://doi.org/10.1038/nchem.1757	journal	September 2013
Quantum calculations of the IR spectrum of liquid water using ab initio and model potential and dipole moment surfaces and comparison with experiment Liu, Hanchao; Wang, Yimin; Bowman, Joel M. The Journal of Chemical Physics, Vol. 142, Issue 19 https://doi.org/10.1063/1.4921045	journal	May 2015
Direct observation of intermolecular interactions mediated by hydrogen bonding De Marco, Luigi; Thämer, Martin; Reppert, Mike The Journal of Chemical Physics, Vol. 141, Issue 3 https://doi.org/10.1063/1.4885145	journal	July 2014
Infrared spectra of water. I. Effect of temperature and of H / D isotopic dilution Maréchal, Y. The Journal of Chemical Physics, Vol. 95, Issue 8 https://doi.org/10.1063/1.461630	journal	October 1991
Collective Hydrogen Bond Reorganization in Water Studied with Temperature-Dependent Ultrafast Infrared Spectroscopy ^∥ Nicodemus, Rebecca A.; Corcelli, S. A.; Skinner, J. L. The Journal of Physical Chemistry B, Vol. 115, Issue 18 https://doi.org/10.1021/jp111434u	journal	May 2011
Three-dimensional infrared spectroscopy of isotope-diluted ice Ih Perakis, Fivos; Borek, Joanna A.; Hamm, Peter American Institute of Physics https://doi.org/10.5167/uzh-84153	text	January 2013
Ultrafast Hydrogen-Bond Dynamics in the Infrared Spectroscopy of Water Fecko, C. J. Science, Vol. 301, Issue 5640 https://doi.org/10.1126/science.1087251	journal	September 2003
Extended Nature of the Molecular Dipole of Hydrogen-Bonded Water Torii, Hajime The Journal of Physical Chemistry A, Vol. 117, Issue 9 https://doi.org/10.1021/jp4013015	journal	February 2013
Ultrafast Vibrational Dynamics of Hydrogen Bonds in the Condensed Phase Nibbering, Erik T. J.; Elsaesser, Thomas Chemical Reviews, Vol. 104, Issue 4 https://doi.org/10.1021/cr020694p	journal	April 2004
On the relationship of normal modes to local modes in molecular vibrations Mills, I. M.; Robiette, A. G. Molecular Physics, Vol. 56, Issue 4 https://doi.org/10.1080/00268978500102691	journal	November 1985
Isotope effects in liquid water by infrared spectroscopy. III. H2O and D2O spectra from 6000to0cm−1 Max, Jean-Joseph; Chapados, Camille The Journal of Chemical Physics, Vol. 131, Issue 18 https://doi.org/10.1063/1.3258646	journal	November 2009
Sum frequency generation surface spectra of ice, water, and acid solution investigated by an exciton model Buch, V.; Tarbuck, T.; Richmond, G. L. The Journal of Chemical Physics, Vol. 127, Issue 20 https://doi.org/10.1063/1.2790437	journal	November 2007
Ultrafast energy relaxation and anisotropy decay of the librational motion in liquid water: A molecular dynamics study Yagasaki, Takuma; Ono, Junichi; Saito, Shinji The Journal of Chemical Physics, Vol. 131, Issue 16 https://doi.org/10.1063/1.3254518	journal	October 2009
Vibrational conical intersections in the water dimer Hamm, Peter; Stock, Gerhard Molecular Physics, Vol. 111, Issue 14-15 https://doi.org/10.1080/00268976.2013.782438	journal	April 2013
Dynamical properties of liquid water from ab initio molecular dynamics performed in the complete basis set limit Lee, Hee-Seung; Tuckerman, Mark E. The Journal of Chemical Physics, Vol. 126, Issue 16 https://doi.org/10.1063/1.2718521	journal	April 2007
Vibrational couplings and ultrafast relaxation of the O–H bending mode in liquid H2O Ashihara, S.; Huse, N.; Espagne, A. Chemical Physics Letters, Vol. 424, Issue 1-3 https://doi.org/10.1016/j.cplett.2006.04.051	journal	June 2006
Optical Constants of Water in the 200-nm to 200-μm Wavelength Region Hale, George M.; Querry, Marvin R. Applied Optics, Vol. 12, Issue 3 https://doi.org/10.1364/AO.12.000555	journal	January 1973
Dynamic localization of a charged particle moving under the influence of an electric field Dunlap, D. H.; Kenkre, V. M. Physical Review B, Vol. 34, Issue 6 https://doi.org/10.1103/PhysRevB.34.3625	journal	September 1986
Temperature dependence of vibrational relaxation in liquid H2O Lock, A. J.; Bakker, H. J. The Journal of Chemical Physics, Vol. 117, Issue 4 https://doi.org/10.1063/1.1485966	journal	July 2002
Measurement of the Raman spectrum of liquid water Carey, David M.; Korenowski, Gerald M. The Journal of Chemical Physics, Vol. 108, Issue 7 https://doi.org/10.1063/1.475659	journal	February 1998
Coherent 2D IR Spectroscopy: Molecular Structure and Dynamics in Solution Khalil, M.; Demirdöven, N.; Tokmakoff, A. The Journal of Physical Chemistry A, Vol. 107, Issue 27 https://doi.org/10.1021/jp0219247	journal	July 2003
Water structural transformation at molecular hydrophobic interfaces Davis, Joel G.; Gierszal, Kamil P.; Wang, Ping Nature, Vol. 491, Issue 7425 https://doi.org/10.1038/nature11570	journal	November 2012
Coherent infrared multidimensional spectra of the OH stretching band in liquid water simulated by direct nonlinear exciton propagation Falvo, Cyril; Palmieri, Benoit; Mukamel, Shaul The Journal of Chemical Physics, Vol. 130, Issue 18 https://doi.org/10.1063/1.3120771	journal	January 2009
Vibrational relaxation of pure liquid water Lindner, Jörg; Vöhringer, Peter; Pshenichnikov, Maxim S. Chemical Physics Letters, Vol. 421, Issue 4-6 https://doi.org/10.1016/j.cplett.2006.01.081	journal	April 2006
Vibrational Energy Flow in Highly Excited Molecules: Role of Intramolecular Vibrational Redistribution Nesbitt, David J.; Field, Robert W. The Journal of Physical Chemistry, Vol. 100, Issue 31 https://doi.org/10.1021/jp960698w	journal	January 1996
A fast-scanning Fourier transform 2D IR interferometer Roberts, Sean T.; Loparo, Joseph J.; Ramasesha, Krupa Optics Communications, Vol. 284, Issue 4 https://doi.org/10.1016/j.optcom.2010.10.049	journal	February 2011
Theory of Fermi resonances in Raman and infrared spectra Monecke, J. Journal of Raman Spectroscopy, Vol. 18, Issue 7 https://doi.org/10.1002/jrs.1250180705	journal	November 1987
Molecular Structure and OH-Stretch Spectra of Liquid Water Surface Buch, V. The Journal of Physical Chemistry B, Vol. 109, Issue 38 https://doi.org/10.1021/jp052819a	journal	September 2005
Variation of the transition dipole moment across the OH stretching band of water Loparo, Joseph J.; Roberts, Sean T.; Nicodemus, Rebecca A. Chemical Physics, Vol. 341, Issue 1-3 https://doi.org/10.1016/j.chemphys.2007.06.056	journal	November 2007
The OH vibrational spectrum of liquid water from combined a b i n i t i o and Monte Carlo calculations Hermansson, Kersti; Knuts, Sören; Lindgren, Jan The Journal of Chemical Physics, Vol. 95, Issue 10 https://doi.org/10.1063/1.461374	journal	November 1991
Fermi resonance and vibrational lineshapes of the CH3 group in liquid methanol Zerda, T. W.; Bradley, M.; Jonas, J. Chemical Physics Letters, Vol. 117, Issue 6 https://doi.org/10.1016/0009-2614(85)80303-1	journal	July 1985
Pressure-Tuned Fermi Resonance in Ice VII Aoki, K.; Yamawaki, H.; Sakashita, M. Science, Vol. 268, Issue 5215 https://doi.org/10.1126/science.268.5215.1322	journal	June 1995
On the interplay of the potential energy and dipole moment surfaces in controlling the infrared activity of liquid water Medders, Gregory R.; Paesani, Francesco The Journal of Chemical Physics, Vol. 142, Issue 21 https://doi.org/10.1063/1.4916629	journal	June 2015
Resonant intermolecular transfer of vibrational energy in liquid water Woutersen, Sander; Bakker, Huib J. Nature, Vol. 402, Issue 6761 https://doi.org/10.1038/990058	journal	December 1999
Inducing and probing non-thermal transitions in semiconductors using femtosecond laser pulses Sundaram, S. K.; Mazur, E. Nature Materials, Vol. 1, Issue 4 https://doi.org/10.1038/nmat767	journal	December 2002
Three-dimensional infrared spectroscopy of isotope-diluted ice Ih Perakis, Fivos; Borek, Joanna A.; Hamm, Peter The Journal of Chemical Physics, Vol. 139, Issue 1 https://doi.org/10.1063/1.4812216	journal	July 2013
Raman study of Fermi resonance, hydrogen bonding, and molecular reorientation in liquid ammonia Schwartz, M.; Wang, C. H. The Journal of Chemical Physics, Vol. 59, Issue 10 https://doi.org/10.1063/1.1679868	journal	November 1973
Strong frequency dependence of vibrational relaxation in bulk and surface water reveals sub-picosecond structural heterogeneity van der Post, Sietse T.; Hsieh, Cho-Shuen; Okuno, Masanari Nature Communications, Vol. 6, Issue 1 https://doi.org/10.1038/ncomms9384	journal	September 2015
Nonadiabatic vibrational dynamics in the HCO$^-_2$⋅H$_2$O complex Hamm, Peter; Stock, Gerhard American Institute of Physics https://doi.org/10.5167/uzh-116013	text	January 2015
Vibrational conical intersections in the water dimer Hamm, Peter; Stock, Gerhard Taylor & Francis https://doi.org/10.5167/uzh-84152	text	January 2013

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