Erratum to “Variation of the transition dipole across the OH stretching band of water” [Chem. Phys. 341 (2007) 218–229]

Loparo, Joseph J.; Roberts, Sean T.; Nicodemus, Rebecca A.; Tokmakoff, Andrei

doi:10.1016/j.chemphys.2009.06.001

Cited by 18 publications

(32 citation statements)

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“…Although our experiments are conceptually similar to previous two-dimensional (2D) infrared experiments, the frequency dispersion of τ 1 has not been recognized before 12 13 14 . This apparent contradiction can be explained by noting that the dispersion of τ 1 is most pronounced at blue-shifted pump-frequency where the transition dipoles of OH oscillators are small 34 . As a consequence, the slowly decaying signals at high frequencies are easily overwhelmed by the more intense transient signals at the centre of the OH stretching band and can be easily overlooked in commonly used 2D infrared plots.…”

Section: Resultsmentioning

confidence: 99%

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Strong frequency dependence of vibrational relaxation in bulk and surface water reveals sub-picosecond structural heterogeneity

et al. 2015

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Because of strong hydrogen bonding in liquid water, intermolecular interactions between water molecules are highly delocalized. Previous two-dimensional infrared spectroscopy experiments have indicated that this delocalization smears out the structural heterogeneity of neat H2O. Here we report on a systematic investigation of the ultrafast vibrational relaxation of bulk and interfacial water using time-resolved infrared and sum-frequency generation spectroscopies. These experiments reveal a remarkably strong dependence of the vibrational relaxation time on the frequency of the OH stretching vibration of liquid water in the bulk and at the air/water interface. For bulk water, the vibrational relaxation time increases continuously from 250 to 550 fs when the frequency is increased from 3,100 to 3,700 cm−1. For hydrogen-bonded water at the air/water interface, the frequency dependence is even stronger. These results directly demonstrate that liquid water possesses substantial structural heterogeneity, both in the bulk and at the surface.

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Section: Resultsmentioning

confidence: 99%

“…The choice for this value of the linewidth will be discussed below. The frequency-dependent transition dipole moment for each Lorentzian was taken from the literature 34 .…”

Section: Resultsmentioning

confidence: 99%

Strong frequency dependence of vibrational relaxation in bulk and surface water reveals sub-picosecond structural heterogeneity

et al. 2015

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“…Second, the magnitude of the transition dipole may depend on bath coordinates, which in analogy with gas-phase spectroscopy is called a nonCondon effect. For water, as we will see, this latter dependence is very important [13,14]. In principle there are off-diagonal terms in the Hamiltonian in this truncated two-state Hilbert space, which depend on the bath coordinates and which lead to vibrational energy relaxation [4].…”

Section: Mixed Quantum/classical Approach: Single Chromophorementioning

confidence: 99%

Vibrational Line Shapes, Spectral Diffusion, and Hydrogen Bonding in Liquid Water

Skinner

Auer

Lin

2008

Advances in Chemical Physics

124

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“…In fact, the frequency-dependent transition dipole moment of OH in neat water was previously investigated by Tokmakoff and coworkers. 44 As shown in Fig. 5 À Á Á ÁD-OH configurations is larger than that of non-H-bonded HOD molecules.…”

Section: Dynamics Of Water In Aqueous Napf 6 Solutionsmentioning

confidence: 93%

Vibrational probing of the hydrogen-bond structure and dynamics of water in aqueous NaPF₆ solutions

2015

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Direct measurements of the individual dynamics of water in bulk and ionic hydration shells in aqueous ionic solutions are quite experimentally challenging because the different subsets of water in bulk and ionic hydration shells are not spectrally well-resolved in most aqueous ionic solutions. In contrast, the different subsets of water in the bulk, cationic hydration shell, and anionic hydration shell in aqueous NaPF 6 solutions were found to be spectrally well distinct. Such spectral features allowed us to study the individual dynamics of the different subsets of water in aqueous NaPF 6 solutions. In this work, we studied the hydrogen-bond (H-bond) structure and dynamics of water in aqueous NaPF 6 solutions at different NaPF 6 concentrations by FTIR, Raman, and IR pump-probe spectroscopy. Three different subsets of water in the bulk, cationic hydration shell, and anionic hydration shell were found to have their own characteristic hydroxyl stretch peaks (eigen spectra) in FTIR and Raman spectra and have unique vibrational lifetimes independent of NaPF 6 concentration. However, the orientational relaxation dynamics, r(t), were not able to be separately measured for three different subsets of water. The overall orientational relaxation times were found to be linearly dependent on the solution viscosity and were reasonably well described by the Debye-Stokes-Einstein equation. Finally, the frequency-dependent transition dipole moments of the hydroxyl (-OD) stretch vibration obtained in neat water and aqueous 3.0 M NaPF 6 solution were compared and found to be dependent on the nature of H-bonds.

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Erratum to “Variation of the transition dipole across the OH stretching band of water” [Chem. Phys. 341 (2007) 218–229]

Cited by 18 publications

References 1 publication

Strong frequency dependence of vibrational relaxation in bulk and surface water reveals sub-picosecond structural heterogeneity

Strong frequency dependence of vibrational relaxation in bulk and surface water reveals sub-picosecond structural heterogeneity

Vibrational Line Shapes, Spectral Diffusion, and Hydrogen Bonding in Liquid Water

Vibrational probing of the hydrogen-bond structure and dynamics of water in aqueous NaPF₆ solutions

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Erratum to “Variation of the transition dipole across the OH stretching band of water” [Chem. Phys. 341 (2007) 218–229]

Cited by 18 publications

References 1 publication

Strong frequency dependence of vibrational relaxation in bulk and surface water reveals sub-picosecond structural heterogeneity

Strong frequency dependence of vibrational relaxation in bulk and surface water reveals sub-picosecond structural heterogeneity

Vibrational Line Shapes, Spectral Diffusion, and Hydrogen Bonding in Liquid Water

Vibrational probing of the hydrogen-bond structure and dynamics of water in aqueous NaPF6 solutions

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Product

Resources

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Vibrational probing of the hydrogen-bond structure and dynamics of water in aqueous NaPF₆ solutions