Differences in the Vibrational Dynamics of H2O and D2O: Observation of Symmetric and Antisymmetric Stretching Vibrations in Heavy Water

Journal of Physical Chemistry Letters

Volumn 7, Issue 10, 2016, Pages 1769-1774

  De Marco, Luigi ^a,b   Carpenter, William ^b   Liu, Hanchao ^c   Biswas, Rajib ^b   Bowman, Joel M ^c   Tokmakoff, Andrei ^b  

^a MASSACHUSETTS INSTITUTE OF TECHNOLOGY   (United States)

^b UNIVERSITY OF CHICAGO   (United States)

^c EMORY UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPLEX NETWORKS; HEAVY WATER; HYDROGEN BONDS; INFRARED SPECTROSCOPY; MOLECULAR DYNAMICS; POTENTIAL ENERGY; QUANTUM CHEMISTRY; STRETCHING;

ANTISYMMETRIC STRETCHING; DYNAMICAL PHENOMENA; HYDROGEN BOND NETWORKS; INTERMOLECULAR COUPLING; NONLINEAR SPECTRUM; NUCLEAR POTENTIALS; TWO-DIMENSIONAL INFRARED SPECTROSCOPY; VIBRATIONAL DYNAMICS;

VIBRATIONS (MECHANICAL);

EID: 84971320849     PISSN: None     EISSN: 19487185     Source Type: Journal    
DOI: 10.1021/acs.jpclett.6b00668     Document Type: Article

References (38)

1. Skinner, J.; Auer, B.; Lin, Y. Vibrational Line Shapes, Spectral Diffusion, and Hydrogen Bonding in Liquid Water. In Advances in Chemical Physics; John Wiley & Sons: Hoboken, NJ, 2009; Vol. 142, p 59.
2. Jansen, T. L. C.; Hayashi, T.; Zhuang, W.; Mukamel, S. Stochastic Liouville Equations for Hydrogen-Bonding Fluctuations and Their Signatures in Two-Dimensional Vibrational Spectroscopy of Water J. Chem. Phys. 2005, 123, 114504 10.1063/1.2008251
3. Auer, B. M.; Skinner, J. L. IR and Raman Spectra of Liquid Water: Theory and Interpretation J. Chem. Phys. 2008, 128, 224511 10.1063/1.2925258
4. Torii, H. Time-Domain Calculations of the Polarized Raman Spectra, the Transient Infrared Absorption Anisotropy, and the Extent of Delocalization of the OH Stretching Mode of Liquid Water J. Phys. Chem. A 2006, 110, 9469-9477 10.1021/jp062033s
5. Choi, J. H.; Cho, M. Computational IR Spectroscopy of Water: OH Stretch Frequencies, Transition Dipoles, and Intermolecular Vibrational Coupling Constants J. Chem. Phys. 2013, 138, 174108 10.1063/1.4802991
6. Paarmann, A.; Hayashi, T.; Mukamel, S.; Miller, R. J. D. Probing Intermolecular Couplings in Liquid Water with Two-Dimensional Infrared Photon Echo Spectroscopy J. Chem. Phys. 2008, 128, 191103 10.1063/1.2919050
7. Wang, Z.; Pakoulev, A.; Pang, Y.; Dlott, D. D. Vibrational Substructure in the OH Stretching Transition of Water and HOD J. Phys. Chem. A 2004, 108, 9054-9063 10.1021/jp048545t
8. Belch, A. C.; Rice, S. A. The OH Stretching Spectrum of Liquid Water: A Random Network Model Interpretation J. Chem. Phys. 1983, 78, 4817-4823 10.1063/1.445416
9. Brubach, J. B.; Mermet, A.; Filabozzi, A.; Gerschel, A.; Roy, P. Signatures of the Hydrogen Bonding in the Infrared Bands of Water J. Chem. Phys. 2005, 122, 184509 10.1063/1.1894929
10. Davis, J. G.; Gierszal, K. P.; Wang, P.; Ben-Amotz, D. Water Structural Transformation at Molecular Hydrophobic Interfaces Nature 2012, 491, 582-585 10.1038/nature11570
11. Laenen, R.; Rauscher, C.; Laubereau, A. Local Substructures of Water Studied by Transient Hole-Burning Spectroscopy in the Infrared: Dynamics and Temperature Dependence J. Phys. Chem. B 1998, 102, 9304-9311 10.1021/jp980667w
12. Walrafen, G. E. Raman Spectral Studies of Water Structure J. Chem. Phys. 1964, 40, 3249-3256 10.1063/1.1724992
13. Asbury, J. B.; Steinel, T.; Stromberg, C.; Corcelli, S. A.; Lawrence, C. P.; Skinner, J. L.; Fayer, M. D. Water Dynamics: Vibrational Echo Correlation Spectroscopy and Comparison to Molecular Dynamics Simulations J. Phys. Chem. A 2004, 108, 1107-1119 10.1021/jp036266k
14. Loparo, J. J.; Roberts, S. T.; Tokmakoff, A. Multidimensional Infrared Spectroscopy of Water. I. Vibrational Dynamics in Two-Dimensional IR Line Shapes J. Chem. Phys. 2006, 125, 194521 10.1063/1.2382895
15. Loparo, J. J.; Roberts, S. T.; Tokmakoff, A. Multidimensional Infrared Spectroscopy of Water. II. Hydrogen Bond Switching Dynamics J. Chem. Phys. 2006, 125, 194522 10.1063/1.2382896
16. Bakulin, A. A.; Liang, C.; la Cour Jansen, T.; Wiersma, D. A.; Bakker, H. J.; Pshenichnikov, M. S. Hydrophobic Solvation: A 2D IR Spectroscopic Inquest Acc. Chem. Res. 2009, 42, 1229-1238 10.1021/ar9000247
17. 2O Nature 2005, 434, 199-202 10.1038/nature03383
18. Ramasesha, K.; De Marco, L.; Mandal, A.; Tokmakoff, A. Water Vibrations Have Strongly Mixed Intra- and Intermolecular Character Nat. Chem. 2013, 5, 935-940 10.1038/nchem.1757
19. 2O Proc. Natl. Acad. Sci. U. S. A. 2008, 105, 437-442 10.1073/pnas.0705792105
20. Hybl, J. D.; Albrecht, A. W.; Faeder, S. M. G.; Jonas, D. M. Two-Dimensional Electronic Spectroscopy Chem. Phys. Lett. 1998, 297, 307-313 10.1016/S0009-2614(98)01140-3
21. Hamm, P.; Lim, M.; Hochstrasser, R. M. Structure of the Amide I Band of Peptides Measured by Femtosecond Nonlinear-Infrared Spectroscopy J. Phys. Chem. B 1998, 102, 6123-6138 10.1021/jp9813286
22. Khalil, M.; Demirdöven, N.; Tokmakoff, A. Coherent 2D IR Spectroscopy: Molecular Structure and Dynamics in Solution J. Phys. Chem. A 2003, 107, 5258-5279 10.1021/jp0219247
23. Sung, J.; Silbey, R. J. Four Wave Mixing Spectroscopy for a Multilevel System J. Chem. Phys. 2001, 115, 9266-9287 10.1063/1.1413979
24. De Marco, L.; Ramasesha, K.; Tokmakoff, A. Experimental Evidence of Fermi Resonances in Isotopically Dilute Water from Ultrafast Broadband IR Spectroscopy J. Phys. Chem. B 2013, 117, 15319-15327 10.1021/jp4034613
25. De Marco, L.; Thämer, M.; Reppert, M.; Tokmakoff, A. Direct Observation of Intermolecular Interactions Mediated by Hydrogen Bonding J. Chem. Phys. 2014, 141, 034502 10.1063/1.4885145
26. Zobov, N. F.; Polyansky, O. L.; Le Sueur, C. R.; Tennyson, J. Vibration-Rotation Levels of Water beyond the Born-Oppenheimer Approximation Chem. Phys. Lett. 1996, 260, 381-387 10.1016/0009-2614(96)00872-X
27. Sceats, M. G.; Rice, S. A. The Intramolecular Potential of Water Molecules Engaged in Hydrogen Bonding from Analysis of the Overtone Spectrum of Ice I J. Chem. Phys. 1979, 71, 973-982 10.1063/1.438388
28. Golonzka, O.; Tokmakoff, A. Polarization-Selective Third-Order Spectroscopy of Coupled Vibronic States J. Chem. Phys. 2001, 115, 297-309 10.1063/1.1376144
29. Lee, K.-K.; Park, K.-H.; Park, S.; Jeon, S.-J.; Cho, M. Polarization-Angle-Scanning 2DIR Spectroscopy of Coupled Anharmonic Oscillators: A Polarization Null Angle Method J. Phys. Chem. B 2011, 115, 5456-5464 10.1021/jp1102274
30. Piatkowski, L.; Eisenthal, K. B.; Bakker, H. J. Ultrafast Intermolecular Energy Transfer in Heavy Water Phys. Chem. Chem. Phys. 2009, 11, 9033-9038 10.1039/b908975f
31. Cringus, D.; Jansen, T. L. C.; Pshenichnikov, M. S.; Wiersma, D. A. Ultrafast Anisotropy Dynamics of Water Molecules Dissolved in Acetonitrile J. Chem. Phys. 2007, 127, 084507 10.1063/1.2771178
32. Wang, Y.; Bowman, J. M. Ab Initio Potential and Dipole Moment Surfaces for Water. II. Local-Monomer Calculations of the Infrared Spectra of Water Clusters J. Chem. Phys. 2011, 134, 154510 10.1063/1.3579995
33. -1 is in Near-Quantitative Agreement with Experiment J. Phys. Chem. B 2016, 120, 2824-2828 10.1021/acs.jpcb.6b01722
34. h Phys. Chem. Chem. Phys. 2016, 18, 3772-3779 10.1039/C5CP07264F
35. h J. Chem. Phys. 2011, 134, 204505 10.1063/1.3592561
36. h J. Phys. Chem. B 2012, 116, 13821-13830 10.1021/jp3059239
37. h Phys. Chem. Chem. Phys. 2012, 14, 6250-6256 10.1039/c2cp23710e
38. Leavitt, C. M.; DeBlase, A. F.; Johnson, C. J.; Van Stipdonk, M.; McCoy, A. B.; Johnson, M. A. Hiding in Plain Sight: Unmasking the Diffuse Spectral Signatures of the Protonated N-Terminus in Isolated Dipeptides Cooled in a Cryogenic Ion Trap J. Phys. Chem. Lett. 2013, 4, 3450-3457 10.1021/jz401681y